-------------------------------------------------------------
----------------------- !PROPERTIES! ------------------------
-------------------------------------------------------------
# -----------------------------------------------------------
$ PAL_Flags
   description: The PAL Flags
   geom. index: 1
   prop. index: 1
        Diskflag:     2
# -----------------------------------------------------------
$ SCF_Energy
   description: The SCF energy
   geom. index: 1
   prop. index: 1
        SCF Energy:    -2607.6074936915
# -----------------------------------------------------------
$ DFT_Energy
   description: The DFT energy
   geom. index: 1
   prop. index: 1
   Number of Alpha Electrons                164.9999280433 
   Number of Beta  Electrons                164.9999280433 
   Total number of  Electrons               329.9998560866 
   Exchange energy                         -231.5644051003 
   Correlation energy                       -13.3741613514 
   Correlation energy NL                      0.0000000000 
   Exchange-Correlation energy             -244.9385664518 
   Embedding correction                       0.0000000000 
   Total DFT Energy (No VdW correction)   -2607.6074936915 
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 1
     Number of atoms                     : 592
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 73
  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence
  ATOM       NA         ZA         QA         VA         BVA        FA
  0   0     6.4406     6.0000    -0.4406     3.8653     3.8653     0.0000
  1   0     0.7911     1.0000     0.2089     0.9361     0.9361     0.0000
  2   0     0.8075     1.0000     0.1925     0.9838     0.9838     0.0000
  3   0     6.2361     6.0000    -0.2361     3.6287     3.6287     0.0000
  4   0     0.8418     1.0000     0.1582     0.9813     0.9813     0.0000
  5   0     0.7798     1.0000     0.2202     0.9037     0.9037     0.0000
  6   0     6.2275     6.0000    -0.2275     3.7165     3.7165    -0.0000
  7   0     0.7876     1.0000     0.2124     0.9417     0.9417    -0.0000
  8   0     0.8732     1.0000     0.1268     0.9980     0.9980     0.0000
  9   0     6.1866     6.0000    -0.1866     3.6461     3.6461     0.0000
 10   0     0.8218     1.0000     0.1782     0.9668     0.9668     0.0000
 11   0     0.8382     1.0000     0.1618     0.9841     0.9841     0.0000
 12   0     8.6387     8.0000    -0.6387     2.0478     2.0478     0.0000
 13   0     0.7231     1.0000     0.2769     0.9806     0.9806     0.0000
 14   0     8.3462     8.0000    -0.3462     1.9360     1.9360    -0.0000
 15   0     0.8262     1.0000     0.1738     0.9963     0.9963    -0.0000
 16   0     8.4853     8.0000    -0.4853     1.8960     1.8960    -0.0000
 17   0     0.7371     1.0000     0.2629     0.9382     0.9382     0.0000
 18   0     0.7889     1.0000     0.2111     0.9900     0.9900    -0.0000
 19   0     8.5293     8.0000    -0.5293     1.8754     1.8754     0.0000
 20   0     0.7119     1.0000     0.2881     0.9617     0.9617    -0.0000
 21   0     0.7902     1.0000     0.2098     1.0047     1.0047     0.0000
 22   0     8.6030     8.0000    -0.6030     2.0551     2.0551     0.0000
 23   0     0.6510     1.0000     0.3490     0.9138     0.9138     0.0000
 24   0     0.7839     1.0000     0.2161     1.0242     1.0242     0.0000
 25   0     8.6550     8.0000    -0.6550     1.8997     1.8997    -0.0000
 26   0     0.6619     1.0000     0.3381     0.9073     0.9073     0.0000
 27   0     0.7079     1.0000     0.2921     0.9459     0.9459    -0.0000
 28   0     8.3584     8.0000    -0.3584     2.0052     2.0052     0.0000
 29   0     0.8321     1.0000     0.1679     1.0259     1.0259     0.0000
 30   0     0.7916     1.0000     0.2084     1.0074     1.0074    -0.0000
 31   0     8.6434     8.0000    -0.6434     1.8469     1.8469    -0.0000
 32   0     0.6844     1.0000     0.3156     0.9557     0.9557    -0.0000
 33   0     0.6892     1.0000     0.3108     0.9521     0.9521    -0.0000
 34   0     8.6850     8.0000    -0.6850     1.7360     1.7360     0.0000
 35   0     0.6606     1.0000     0.3394     0.8928     0.8928     0.0000
 36   0     0.6540     1.0000     0.3460     0.8981     0.8981    -0.0000
 37   0     8.5745     8.0000    -0.5745     1.8943     1.8943     0.0000
 38   0     0.7093     1.0000     0.2907     0.9476     0.9476    -0.0000
 39   0     0.7274     1.0000     0.2726     0.9679     0.9679    -0.0000
 40   0     8.6051     8.0000    -0.6051     1.8721     1.8721     0.0000
 41   0     0.7506     1.0000     0.2494     1.0211     1.0211     0.0000
 42   0     0.6825     1.0000     0.3175     0.9548     0.9548     0.0000
 43   0     8.5230     8.0000    -0.5230     1.9172     1.9172     0.0000
 44   0     0.7797     1.0000     0.2203     1.0306     1.0306     0.0000
 45   0     0.7006     1.0000     0.2994     0.9559     0.9559    -0.0000
 46   0     8.5561     8.0000    -0.5561     1.8594     1.8594    -0.0000
 47   0     0.6984     1.0000     0.3016     0.9585     0.9585    -0.0000
 48   0     0.7384     1.0000     0.2616     0.9482     0.9482     0.0000
 49   0     8.5715     8.0000    -0.5715     1.8644     1.8644     0.0000
 50   0     0.7457     1.0000     0.2543     0.9610     0.9610    -0.0000
 51   0     0.7132     1.0000     0.2868     0.9825     0.9825     0.0000
 52   0     8.4754     8.0000    -0.4754     1.9415     1.9415     0.0000
 53   0     0.7063     1.0000     0.2937     0.9467     0.9467    -0.0000
 54   0     0.7582     1.0000     0.2418     0.9601     0.9601     0.0000
 55   0     8.5843     8.0000    -0.5843     1.8450     1.8450    -0.0000
 56   0     0.7672     1.0000     0.2328     1.0320     1.0320     0.0000
 57   0     0.6639     1.0000     0.3361     0.9312     0.9312     0.0000
 58   0     8.5893     8.0000    -0.5893     1.8874     1.8874    -0.0000
 59   0     0.7044     1.0000     0.2956     0.9451     0.9451    -0.0000
 60   0     0.6857     1.0000     0.3143     0.9283     0.9283     0.0000
 61   0     8.5920     8.0000    -0.5920     1.8822     1.8822    -0.0000
 62   0     0.7420     1.0000     0.2580     0.9728     0.9728     0.0000
 63   0     0.6786     1.0000     0.3214     0.9306     0.9306     0.0000
 64   0     8.5933     8.0000    -0.5933     1.9007     1.9007     0.0000
 65   0     0.7048     1.0000     0.2952     0.9982     0.9982     0.0000
 66   0     0.7331     1.0000     0.2669     1.0024     1.0024     0.0000
 67   0     8.4237     8.0000    -0.4237     1.9997     1.9997     0.0000
 68   0     0.7310     1.0000     0.2690     0.9575     0.9575     0.0000
 69   0     0.7861     1.0000     0.2139     0.9973     0.9973     0.0000
 70   0     8.4837     8.0000    -0.4837     1.9560     1.9560    -0.0000
 71   0     0.7974     1.0000     0.2026     1.0324     1.0324     0.0000
 72   0     0.7298     1.0000     0.2702     0.9925     0.9925    -0.0000
 73   0     8.6186     8.0000    -0.6186     1.9652     1.9652     0.0000
 74   0     0.6751     1.0000     0.3249     0.9199     0.9199     0.0000
 75   0     0.6784     1.0000     0.3216     0.9479     0.9479    -0.0000
 76   0     8.5354     8.0000    -0.5354     1.8966     1.8966     0.0000
 77   0     0.6933     1.0000     0.3067     0.9229     0.9229     0.0000
 78   0     0.7261     1.0000     0.2739     0.9563     0.9563    -0.0000
 79   0     8.4982     8.0000    -0.4982     1.9761     1.9761     0.0000
 80   0     0.7043     1.0000     0.2957     0.9417     0.9417    -0.0000
 81   0     0.7348     1.0000     0.2652     0.9477     0.9477    -0.0000
 82   0     8.5572     8.0000    -0.5572     1.8931     1.8931     0.0000
 83   0     0.7354     1.0000     0.2646     0.9636     0.9636     0.0000
 84   0     0.7014     1.0000     0.2986     0.9500     0.9500     0.0000
 85   0     8.6757     8.0000    -0.6757     1.8200     1.8200    -0.0000
 86   0     0.6410     1.0000     0.3590     0.8851     0.8851    -0.0000
 87   0     0.6490     1.0000     0.3510     0.8838     0.8838    -0.0000
 88   0     8.5975     8.0000    -0.5975     1.9000     1.9000    -0.0000
 89   0     0.6490     1.0000     0.3510     0.9009     0.9009    -0.0000
 90   0     0.7254     1.0000     0.2746     0.9655     0.9655    -0.0000
 91   0     8.4850     8.0000    -0.4850     2.0555     2.0555    -0.0000
 92   0     0.6805     1.0000     0.3195     0.9115     0.9115     0.0000
 93   0     0.7661     1.0000     0.2339     0.9837     0.9837    -0.0000
 94   0     8.5578     8.0000    -0.5578     1.9360     1.9360    -0.0000
 95   0     0.7178     1.0000     0.2822     0.9569     0.9569    -0.0000
 96   0     0.7020     1.0000     0.2980     0.9350     0.9350    -0.0000
 97   0     8.5941     8.0000    -0.5941     1.8565     1.8565     0.0000
 98   0     0.7291     1.0000     0.2709     0.9859     0.9859    -0.0000
 99   0     0.6959     1.0000     0.3041     0.9672     0.9672     0.0000
100   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
101   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
102   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
103   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
104   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
105   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
106   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
107   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
108   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
109   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
110   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
111   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
112   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
113   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
114   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
115   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
116   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
117   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
118   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
119   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
120   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
121   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
122   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
123   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
124   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
125   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
126   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
127   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
128   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
129   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
130   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
131   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
132   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
133   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
134   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
135   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
136   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
137   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
138   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
139   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
140   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
141   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
142   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
143   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
144   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
145   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
146   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
147   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
148   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
149   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
150   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
151   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
152   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
153   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
154   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
155   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
156   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
157   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
158   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
159   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
160   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
161   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
162   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
163   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
164   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
165   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
166   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
167   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
168   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
169   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
170   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
171   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
172   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
173   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
174   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
175   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
176   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
177   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
178   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
179   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
180   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
181   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
182   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
183   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
184   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
185   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
186   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
187   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
188   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
189   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
190   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
191   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
192   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
193   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
194   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
195   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
196   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
197   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
198   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
199   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
200   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
201   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
202   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
203   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
204   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
205   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
206   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
207   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
208   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
209   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
210   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
211   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
212   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
213   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
214   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
215   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
216   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
217   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
218   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
219   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
220   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
221   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
222   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
223   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
224   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
225   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
226   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
227   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
228   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
229   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
230   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
231   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
232   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
233   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
234   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
235   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
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491   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
492   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
493   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
494   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
495   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
496   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
497   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
498   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
499   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
500   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
501   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
502   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
503   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
504   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
505   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
506   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
507   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
508   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
509   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
510   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
511   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
512   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
513   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
514   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
515   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
516   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
517   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
518   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
519   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
520   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
521   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
522   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
523   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
524   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
525   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
526   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
527   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
528   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
529   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
530   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
531   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
532   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
533   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
534   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
535   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
536   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
537   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
538   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
539   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
540   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
541   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
542   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
543   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
544   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
545   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
546   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
547   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
548   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
549   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
550   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
551   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
552   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
553   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
554   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
555   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
556   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
557   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
558   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
559   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
560   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
561   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
562   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
563   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
564   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
565   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
566   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
567   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
568   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
569   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
570   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
571   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
572   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
573   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
574   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
575   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
576   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
577   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
578   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
579   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
580   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
581   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
582   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
583   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
584   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
585   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
586   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
587   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
588   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
589   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
590   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
591   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            1                0.967751
                0             6               2            1                1.072910
                0             6               3            6                0.754734
                0             6              14            8                0.819015
                0             6              88            8                0.115791
                3             6               4            1                1.004625
                3             6               5            1                0.925556
                3             6               6            6                0.794807
                3             6               9            6                0.172131
                6             6               7            1                1.010958
                6             6               8            1                1.008342
                6             6               9            6                0.809174
                9             6              10            1                0.985266
                9             6              11            1                0.955559
                9             6              12            8                0.843207
               12             8              13            1                0.965855
               14             8              15            1                0.996488
               16             8              17            1                0.908795
               16             8              18            1                0.930561
               19             8              20            1                0.899871
               19             8              21            1                0.940665
               22             8              23            1                0.839014
               22             8              24            1                0.969238
               25             8              26            1                0.849877
               25             8              27            1                0.923038
               28             8              29            1                0.979584
               28             8              30            1                0.953255
               31             8              32            1                0.878145
               31             8              33            1                0.939238
               34             8              35            1                0.885714
               34             8              36            1                0.810139
               37             8              38            1                0.876654
               37             8              39            1                0.953959
               40             8              41            1                0.945581
               40             8              42            1                0.900309
               43             8              44            1                0.973001
               43             8              45            1                0.937707
               46             8              47            1                0.950296
               46             8              48            1                0.880935
               49             8              50            1                0.944828
               49             8              51            1                0.905620
               52             8              53            1                0.938495
               52             8              54            1                0.922539
               55             8              56            1                0.955201
               55             8              57            1                0.888177
               58             8              59            1                0.876385
               58             8              60            1                0.916074
               61             8              62            1                0.959156
               61             8              63            1                0.840713
               64             8              65            1                0.903183
               64             8              66            1                0.993596
               67             8              68            1                0.907683
               67             8              69            1                0.986383
               70             8              71            1                1.019553
               70             8              72            1                0.940220
               73             8              74            1                0.912942
               73             8              75            1                0.876140
               76             8              77            1                0.876656
               76             8              78            1                0.936419
               79             8              80            1                0.927658
               79             8              81            1                0.939670
               82             8              83            1                0.925987
               82             8              84            1                0.940212
               85             8              86            1                0.871577
               85             8              87            1                0.878940
               88             8              89            1                0.892658
               88             8              90            1                0.953175
               91             8              92            1                0.908223
               91             8              93            1                0.981775
               94             8              95            1                0.943290
               94             8              96            1                0.898821
               97             8              98            1                0.908538
               97             8              99            1                0.912713
# -----------------------------------------------------------
$ SCF_Electric_Properties
   description: The SCF Calculated Electric Properties
   geom. index: 1
   prop. index: 1
       Filename                          : final081.orca.scfp 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :       18.6622508038
        Electronic Contribution:
                  0    
      0      -1.175596
      1      -0.386482
      2       0.343909
        Nuclear Contribution:
                  0    
      0      -0.577664
      1       4.678841
      2      -6.036785
        Total Dipole moment:
                  0    
      0      -1.753260
      1       4.292359
      2      -5.692876
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    592 
    Geometry Index:     1 
    Coordinates:
               0 C      9.580000000000    9.990000000000   10.700000000000
               1 H      9.530000000000    9.720000000000   11.800000000000
               2 H      9.530000000000    9.100000000000   10.130000000000
               3 C     10.870000000000   10.730000000000   10.210000000000
               4 H     11.670000000000   10.050000000000   10.470000000000
               5 H     10.940000000000   10.780000000000    9.100000000000
               6 C     11.180000000000   12.100000000000   10.820000000000
               7 H     10.260000000000   12.590000000000   11.210000000000
               8 H     11.740000000000   12.700000000000   10.100000000000
               9 C     12.070000000000   11.830000000000   12.020000000000
              10 H     11.600000000000   11.140000000000   12.740000000000
              11 H     12.250000000000   12.730000000000   12.670000000000
              12 O     13.420000000000   11.390000000000   11.780000000000
              13 H     13.920000000000   11.450000000000   12.620000000000
              14 O      8.470000000000   10.680000000000   10.270000000000
              15 H      7.910000000000   10.870000000000   10.980000000000
              16 O     10.380000000000    9.820000000000    6.590000000000
              17 H     10.990000000000   10.430000000000    6.170000000000
              18 H     11.090000000000    9.430000000000    7.090000000000
              19 O      6.840000000000   12.240000000000   13.400000000000
              20 H      6.440000000000   11.700000000000   12.690000000000
              21 H      6.430000000000   13.090000000000   13.200000000000
              22 O      7.830000000000   13.000000000000    8.740000000000
              23 H      8.370000000000   12.320000000000    9.250000000000
              24 H      6.980000000000   12.650000000000    8.560000000000
              25 O      8.370000000000   14.870000000000   10.890000000000
              26 H      8.040000000000   14.120000000000   10.290000000000
              27 H      8.570000000000   15.570000000000   10.200000000000
              28 O     15.070000000000   12.030000000000   13.710000000000
              29 H     15.490000000000   11.500000000000   14.340000000000
              30 H     14.340000000000   12.330000000000   14.180000000000
              31 O     11.880000000000    7.960000000000   14.760000000000
              32 H     11.650000000000    8.900000000000   14.730000000000
              33 H     12.110000000000    7.700000000000   13.890000000000
              34 O      9.490000000000   13.610000000000    6.610000000000
              35 H      9.660000000000   14.580000000000    6.670000000000
              36 H      8.730000000000   13.460000000000    7.250000000000
              37 O     15.090000000000   13.140000000000   10.040000000000
              38 H     14.600000000000   12.560000000000   10.640000000000
              39 H     14.780000000000   14.030000000000   10.320000000000
              40 O     14.740000000000   14.220000000000   16.350000000000
              41 H     13.950000000000   13.950000000000   15.890000000000
              42 H     15.250000000000   13.420000000000   16.100000000000
              43 O     17.310000000000   14.350000000000   13.670000000000
              44 H     16.530000000000   13.820000000000   13.620000000000
              45 H     18.000000000000   13.650000000000   13.570000000000
              46 O      6.640000000000   15.120000000000   13.230000000000
              47 H      5.870000000000   15.720000000000   13.290000000000
              48 H      7.070000000000   15.230000000000   12.410000000000
              49 O     18.680000000000   11.480000000000   15.140000000000
              50 H     19.090000000000   12.180000000000   15.670000000000
              51 H     17.790000000000   11.610000000000   15.500000000000
              52 O      5.870000000000   11.140000000000   11.200000000000
              53 H      5.290000000000   10.390000000000   11.360000000000
              54 H      5.960000000000   11.250000000000   10.250000000000
              55 O      5.820000000000   15.610000000000    8.510000000000
              56 H      6.740000000000   15.900000000000    8.490000000000
              57 H      5.810000000000   14.640000000000    8.840000000000
              58 O     12.720000000000   13.210000000000   14.640000000000
              59 H     12.010000000000   12.550000000000   14.760000000000
              60 H     12.320000000000   14.010000000000   14.230000000000
              61 O     15.290000000000   10.070000000000   10.460000000000
              62 H     15.950000000000    9.800000000000   11.110000000000
              63 H     14.610000000000   10.510000000000   11.000000000000
              64 O     13.900000000000    8.150000000000    6.510000000000
              65 H     13.130000000000    8.190000000000    7.110000000000
              66 H     13.550000000000    8.420000000000    5.650000000000
              67 O     11.670000000000    7.830000000000    8.130000000000
              68 H     12.270000000000    7.510000000000    8.850000000000
              69 H     11.090000000000    7.130000000000    7.940000000000
              70 O      5.910000000000   14.400000000000   15.870000000000
              71 H      5.740000000000   15.220000000000   16.340000000000
              72 H      6.150000000000   14.630000000000   14.980000000000
              73 O     11.560000000000   10.760000000000   15.090000000000
              74 H     11.990000000000   10.620000000000   15.950000000000
              75 H     10.580000000000   10.900000000000   15.070000000000
              76 O      8.840000000000   10.800000000000   14.950000000000
              77 H      8.270000000000   11.250000000000   14.280000000000
              78 H      8.180000000000   10.310000000000   15.420000000000
              79 O      5.240000000000   12.720000000000    8.540000000000
              80 H      4.450000000000   12.780000000000    9.150000000000
              81 H      5.010000000000   12.030000000000    7.930000000000
              82 O     11.440000000000   11.930000000000    5.180000000000
              83 H     10.950000000000   12.660000000000    5.570000000000
              84 H     12.350000000000   12.210000000000    5.330000000000
              85 O      8.610000000000   17.200000000000    9.040000000000
              86 H      8.530000000000   18.170000000000    9.170000000000
              87 H      8.970000000000   17.040000000000    8.130000000000
              88 O      9.010000000000    6.680000000000   11.580000000000
              89 H      8.130000000000    7.000000000000   11.860000000000
              90 H      8.900000000000    6.400000000000   10.650000000000
              91 O     16.110000000000   11.830000000000   16.250000000000
              92 H     16.650000000000   12.130000000000   17.020000000000
              93 H     15.840000000000   11.030000000000   16.600000000000
              94 O     13.500000000000    7.650000000000   10.420000000000
              95 H     13.020000000000    7.620000000000   11.250000000000
              96 H     13.990000000000    8.490000000000   10.340000000000
              97 O      7.740000000000    9.500000000000    7.580000000000
              98 H      7.890000000000    9.920000000000    8.440000000000
              99 H      8.620000000000    9.570000000000    7.170000000000
             100 Q      6.560000000000   19.460000000000    5.980000000000
             101 Q      5.810000000000   18.140000000000    6.250000000000
             102 Q      6.180000000000   18.870000000000    6.460000000000
             103 Q      4.410000000000    4.170000000000    9.770000000000
             104 Q      3.030000000000    4.750000000000   10.300000000000
             105 Q      3.860000000000    4.520000000000   10.350000000000
             106 Q     16.480000000000   16.940000000000   15.620000000000
             107 Q     17.400000000000   16.300000000000   14.560000000000
             108 Q     17.230000000000   16.750000000000   15.250000000000
             109 Q      1.480000000000    8.490000000000    7.320000000000
             110 Q      1.360000000000    8.830000000000    5.690000000000
             111 Q      1.750000000000    8.670000000000    6.490000000000
             112 Q     13.390000000000   16.550000000000   19.330000000000
             113 Q     14.150000000000   17.530000000000   20.330000000000
             114 Q     13.920000000000   16.800000000000   20.000000000000
             115 Q     11.130000000000   -0.360000000000   11.520000000000
             116 Q     10.750000000000    0.690000000000   10.500000000000
             117 Q     10.890000000000    0.400000000000   11.270000000000
             118 Q      5.660000000000    4.190000000000   13.370000000000
             119 Q      5.920000000000    5.070000000000   14.530000000000
             120 Q      6.020000000000    4.820000000000   13.770000000000
             121 Q      8.260000000000   15.910000000000   17.180000000000
             122 Q      8.630000000000   16.300000000000   15.820000000000
             123 Q      8.460000000000   16.470000000000   16.610000000000
             124 Q     21.710000000000    9.770000000000    9.840000000000
             125 Q     21.440000000000   10.990000000000    8.880000000000
             126 Q     21.420000000000   10.170000000000    9.170000000000
             127 Q     10.300000000000    5.700000000000    3.350000000000
             128 Q     10.560000000000    5.650000000000    4.990000000000
             129 Q     10.740000000000    5.540000000000    4.130000000000
             130 Q      9.560000000000   17.140000000000    5.810000000000
             131 Q     10.620000000000   16.120000000000    6.420000000000
             132 Q      9.850000000000   16.480000000000    6.330000000000
             133 Q     19.930000000000    9.600000000000    7.640000000000
             134 Q     18.620000000000    8.800000000000    7.770000000000
             135 Q     19.250000000000    9.170000000000    7.380000000000
             136 Q      7.340000000000   16.740000000000    4.660000000000
             137 Q      6.350000000000   17.580000000000    4.030000000000
             138 Q      7.120000000000   17.360000000000    4.150000000000
             139 Q      1.970000000000   13.630000000000   10.240000000000
             140 Q      2.710000000000   12.230000000000   10.610000000000
             141 Q      2.610000000000   13.040000000000   10.320000000000
             142 Q      8.560000000000    2.240000000000   13.050000000000
             143 Q      9.300000000000    0.940000000000   12.780000000000
             144 Q      8.650000000000    1.400000000000   13.120000000000
             145 Q     13.760000000000   20.830000000000    9.900000000000
             146 Q     13.480000000000   19.510000000000    9.140000000000
             147 Q     13.390000000000   20.320000000000    9.330000000000
             148 Q     12.570000000000    1.430000000000   11.990000000000
             149 Q     13.950000000000    1.960000000000   12.760000000000
             150 Q     13.240000000000    1.960000000000   12.240000000000
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             503 Q     15.540000000000   16.470000000000    5.580000000000
             504 Q     15.260000000000   15.950000000000    6.150000000000
             505 Q      4.220000000000    3.170000000000   11.710000000000
             506 Q      4.830000000000    1.790000000000   12.260000000000
             507 Q      4.520000000000    2.600000000000   12.300000000000
             508 Q      5.330000000000    9.780000000000   18.140000000000
             509 Q      6.750000000000    9.380000000000   17.770000000000
             510 Q      6.140000000000    9.930000000000   17.950000000000
             511 Q      6.720000000000   17.650000000000   16.440000000000
             512 Q      6.430000000000   19.130000000000   16.360000000000
             513 Q      6.270000000000   18.330000000000   16.240000000000
             514 Q     15.450000000000   13.220000000000    8.170000000000
             515 Q     16.440000000000   12.840000000000    6.980000000000
             516 Q     15.880000000000   13.330000000000    7.420000000000
             517 Q      0.210000000000   11.400000000000   14.670000000000
             518 Q      0.820000000000   12.610000000000   15.540000000000
             519 Q      0.600000000000   11.770000000000   15.350000000000
             520 Q      6.220000000000    7.910000000000    4.760000000000
             521 Q      7.410000000000    8.860000000000    4.930000000000
             522 Q      7.040000000000    8.120000000000    4.830000000000
             523 Q      6.510000000000    6.550000000000   13.290000000000
             524 Q      7.060000000000    7.990000000000   13.540000000000
             525 Q      6.860000000000    7.320000000000   13.070000000000
             526 Q     14.590000000000   18.530000000000   12.740000000000
             527 Q     16.140000000000   18.600000000000   12.970000000000
             528 Q     15.400000000000   18.340000000000   12.620000000000
             529 Q     12.590000000000   10.940000000000   18.310000000000
             530 Q     12.120000000000    9.350000000000   18.180000000000
             531 Q     12.330000000000   10.170000000000   17.940000000000
             532 Q     20.240000000000    8.950000000000   15.440000000000
             533 Q     21.540000000000    9.580000000000   15.990000000000
             534 Q     21.060000000000    8.980000000000   15.670000000000
             535 Q     14.530000000000   12.870000000000    5.950000000000
             536 Q     14.520000000000   11.450000000000    6.530000000000
             537 Q     14.290000000000   12.050000000000    5.980000000000
             538 Q      3.360000000000    6.480000000000   12.140000000000
             539 Q      2.300000000000    7.280000000000   11.310000000000
             540 Q      3.060000000000    7.090000000000   11.630000000000
             541 Q      9.740000000000    6.990000000000   18.180000000000
             542 Q     10.170000000000    7.430000000000   19.610000000000
             543 Q      9.700000000000    7.000000000000   19.030000000000
             544 Q     -0.060000000000   14.870000000000    9.800000000000
             545 Q      0.980000000000   15.830000000000   10.310000000000
             546 Q      0.680000000000   15.240000000000    9.780000000000
             547 Q      4.930000000000   12.940000000000   16.460000000000
             548 Q      5.190000000000   11.690000000000   17.220000000000
             549 Q      4.700000000000   12.250000000000   16.860000000000
             550 Q      8.880000000000    6.040000000000    6.980000000000
             551 Q     10.020000000000    5.090000000000    7.040000000000
             552 Q      9.670000000000    5.830000000000    6.860000000000
             553 Q      9.630000000000    8.970000000000    2.640000000000
             554 Q      8.580000000000    8.090000000000    3.310000000000
             555 Q      9.030000000000    8.380000000000    2.660000000000
             556 Q     13.370000000000   15.870000000000    6.000000000000
             557 Q     12.130000000000   15.720000000000    4.990000000000
             558 Q     12.530000000000   15.990000000000    5.710000000000
             559 Q     12.540000000000   18.170000000000    5.360000000000
             560 Q     11.620000000000   19.200000000000    4.640000000000
             561 Q     12.060000000000   18.890000000000    5.300000000000
             562 Q      9.010000000000   14.660000000000   19.660000000000
             563 Q      8.770000000000   15.980000000000   20.300000000000
             564 Q      8.590000000000   15.170000000000   20.160000000000
             565 Q     14.320000000000    6.860000000000    2.430000000000
             566 Q     15.310000000000    7.620000000000    1.410000000000
             567 Q     14.990000000000    6.950000000000    1.870000000000
             568 Q      7.120000000000    6.010000000000    4.180000000000
             569 Q      7.240000000000    4.770000000000    3.320000000000
             570 Q      7.040000000000    5.210000000000    4.010000000000
             571 Q     10.520000000000   14.200000000000   17.520000000000
             572 Q     11.320000000000   15.400000000000   18.010000000000
             573 Q     10.910000000000   14.690000000000   18.110000000000
             574 Q      6.650000000000   14.490000000000    4.710000000000
             575 Q      8.160000000000   14.350000000000    5.270000000000
             576 Q      7.520000000000   14.600000000000    4.760000000000
             577 Q     19.790000000000    5.990000000000   15.480000000000
             578 Q     18.720000000000    5.020000000000   14.770000000000
             579 Q     19.370000000000    5.590000000000   14.820000000000
             580 Q      0.460000000000    7.510000000000    9.800000000000
             581 Q     -0.360000000000    7.740000000000   11.030000000000
             582 Q      0.310000000000    7.850000000000   10.560000000000
             583 Q      9.310000000000    3.730000000000   18.220000000000
             584 Q     10.520000000000    3.750000000000   17.270000000000
             585 Q      9.930000000000    3.400000000000   17.750000000000
             586 Q      5.080000000000   16.250000000000    6.970000000000
             587 Q      3.950000000000   16.660000000000    6.000000000000
             588 Q      4.760000000000   16.480000000000    6.240000000000
             589 Q     11.960000000000    3.560000000000    7.640000000000
             590 Q     12.380000000000    3.620000000000    9.110000000000
             591 Q     11.860000000000    3.480000000000    8.460000000000
