-------------------------------------------------------------
----------------------- !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:    -2757.7997833701
# -----------------------------------------------------------
$ DFT_Energy
   description: The DFT energy
   geom. index: 1
   prop. index: 1
   Number of Alpha Electrons                175.0000008929 
   Number of Beta  Electrons                175.0000008929 
   Total number of  Electrons               350.0000017858 
   Exchange energy                         -245.7596578016 
   Correlation energy                       -14.1832130379 
   Correlation energy NL                      0.0000000000 
   Exchange-Correlation energy             -259.9428708395 
   Embedding correction                       0.0000000000 
   Total DFT Energy (No VdW correction)   -2757.7997833701 
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 1
     Number of atoms                     : 586
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 76
  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     6.0943     6.0000    -0.0943     3.5782     3.5782     0.0000
  1   0     0.7867     1.0000     0.2133     0.9640     0.9640     0.0000
  2   0     0.7513     1.0000     0.2487     0.8874     0.8874    -0.0000
  3   0     6.3761     6.0000    -0.3761     3.8230     3.8230     0.0000
  4   0     0.8301     1.0000     0.1699     1.0155     1.0155    -0.0000
  5   0     0.8519     1.0000     0.1481     0.9583     0.9583     0.0000
  6   0     6.4041     6.0000    -0.4041     3.7023     3.7023     0.0000
  7   0     0.7804     1.0000     0.2196     0.9544     0.9544     0.0000
  8   0     0.8178     1.0000     0.1822     0.9775     0.9775     0.0000
  9   0     6.2542     6.0000    -0.2542     3.7411     3.7411     0.0000
 10   0     0.7819     1.0000     0.2181     0.9510     0.9510    -0.0000
 11   0     0.8330     1.0000     0.1670     0.9584     0.9584     0.0000
 12   0     8.4884     8.0000    -0.4884     1.8931     1.8931     0.0000
 13   0     0.7663     1.0000     0.2337     0.9628     0.9628    -0.0000
 14   0     8.5918     8.0000    -0.5918     1.7445     1.7445    -0.0000
 15   0     0.7131     1.0000     0.2869     0.9858     0.9858     0.0000
 16   0     8.5616     8.0000    -0.5616     2.0112     2.0112    -0.0000
 17   0     0.6773     1.0000     0.3227     0.9081     0.9081    -0.0000
 18   0     0.7401     1.0000     0.2599     0.9742     0.9742    -0.0000
 19   0     8.6053     8.0000    -0.6053     2.0371     2.0371     0.0000
 20   0     0.6854     1.0000     0.3146     0.9220     0.9220    -0.0000
 21   0     0.7208     1.0000     0.2792     0.9265     0.9265     0.0000
 22   0     8.5007     8.0000    -0.5007     1.9825     1.9825     0.0000
 23   0     0.7355     1.0000     0.2645     0.9471     0.9471     0.0000
 24   0     0.7829     1.0000     0.2171     0.9701     0.9701     0.0000
 25   0     8.4782     8.0000    -0.4782     2.0745     2.0745    -0.0000
 26   0     0.7474     1.0000     0.2526     0.9565     0.9565    -0.0000
 27   0     0.7616     1.0000     0.2384     0.9879     0.9879    -0.0000
 28   0     8.5028     8.0000    -0.5028     2.0203     2.0203     0.0000
 29   0     0.7553     1.0000     0.2447     0.9537     0.9537     0.0000
 30   0     0.7022     1.0000     0.2978     0.9371     0.9371     0.0000
 31   0     8.6043     8.0000    -0.6043     2.0452     2.0452    -0.0000
 32   0     0.7196     1.0000     0.2804     0.9759     0.9759    -0.0000
 33   0     0.6866     1.0000     0.3134     0.9066     0.9066     0.0000
 34   0     8.5462     8.0000    -0.5462     1.9796     1.9796    -0.0000
 35   0     0.7325     1.0000     0.2675     1.0005     1.0005    -0.0000
 36   0     0.7229     1.0000     0.2771     0.9702     0.9702     0.0000
 37   0     8.5505     8.0000    -0.5505     1.8939     1.8939    -0.0000
 38   0     0.7602     1.0000     0.2398     0.9895     0.9895     0.0000
 39   0     0.6800     1.0000     0.3200     0.9236     0.9236    -0.0000
 40   0     8.5360     8.0000    -0.5360     1.9126     1.9126    -0.0000
 41   0     0.7424     1.0000     0.2576     0.9797     0.9797     0.0000
 42   0     0.7338     1.0000     0.2662     0.9577     0.9577    -0.0000
 43   0     8.4548     8.0000    -0.4548     1.9168     1.9168    -0.0000
 44   0     0.7864     1.0000     0.2136     1.0143     1.0143    -0.0000
 45   0     0.7585     1.0000     0.2415     1.0082     1.0082    -0.0000
 46   0     8.5792     8.0000    -0.5792     1.9129     1.9129     0.0000
 47   0     0.7320     1.0000     0.2680     0.9812     0.9812    -0.0000
 48   0     0.6681     1.0000     0.3319     0.9334     0.9334     0.0000
 49   0     8.5492     8.0000    -0.5492     1.8349     1.8349    -0.0000
 50   0     0.7487     1.0000     0.2513     0.9921     0.9921     0.0000
 51   0     0.7124     1.0000     0.2876     0.9435     0.9435     0.0000
 52   0     8.5687     8.0000    -0.5687     1.8874     1.8874    -0.0000
 53   0     0.6791     1.0000     0.3209     0.9185     0.9185    -0.0000
 54   0     0.7361     1.0000     0.2639     0.9551     0.9551    -0.0000
 55   0     8.6008     8.0000    -0.6008     1.8662     1.8662    -0.0000
 56   0     0.6977     1.0000     0.3023     0.9454     0.9454    -0.0000
 57   0     0.7141     1.0000     0.2859     0.9794     0.9794     0.0000
 58   0     8.6009     8.0000    -0.6009     1.9112     1.9112    -0.0000
 59   0     0.6846     1.0000     0.3154     0.9347     0.9347    -0.0000
 60   0     0.7016     1.0000     0.2984     0.9262     0.9262    -0.0000
 61   0     8.5744     8.0000    -0.5744     1.9261     1.9261    -0.0000
 62   0     0.6630     1.0000     0.3370     0.9453     0.9453     0.0000
 63   0     0.7569     1.0000     0.2431     1.0056     1.0056     0.0000
 64   0     8.5752     8.0000    -0.5752     1.9018     1.9018     0.0000
 65   0     0.7524     1.0000     0.2476     0.9701     0.9701    -0.0000
 66   0     0.6581     1.0000     0.3419     0.9113     0.9113     0.0000
 67   0     8.4994     8.0000    -0.4994     1.9280     1.9280     0.0000
 68   0     0.7019     1.0000     0.2981     0.9491     0.9491     0.0000
 69   0     0.7699     1.0000     0.2301     0.9686     0.9686     0.0000
 70   0     8.5110     8.0000    -0.5110     1.8503     1.8503    -0.0000
 71   0     0.7587     1.0000     0.2413     0.9885     0.9885    -0.0000
 72   0     0.7457     1.0000     0.2543     0.9511     0.9511     0.0000
 73   0     8.6654     8.0000    -0.6654     1.8475     1.8475    -0.0000
 74   0     0.6582     1.0000     0.3418     0.9047     0.9047    -0.0000
 75   0     0.6836     1.0000     0.3164     0.9349     0.9349    -0.0000
 76   0     8.6963     8.0000    -0.6963     1.8719     1.8719     0.0000
 77   0     0.6604     1.0000     0.3396     0.9492     0.9492     0.0000
 78   0     0.6900     1.0000     0.3100     0.9437     0.9437     0.0000
 79   0     8.6675     8.0000    -0.6675     1.8416     1.8416    -0.0000
 80   0     0.6977     1.0000     0.3023     0.9467     0.9467     0.0000
 81   0     0.6699     1.0000     0.3301     0.9385     0.9385     0.0000
 82   0     8.5336     8.0000    -0.5336     1.8781     1.8781     0.0000
 83   0     0.7421     1.0000     0.2579     0.9921     0.9921     0.0000
 84   0     0.7197     1.0000     0.2803     0.9364     0.9364     0.0000
 85   0     8.4747     8.0000    -0.4747     1.8704     1.8704     0.0000
 86   0     0.7248     1.0000     0.2752     0.9520     0.9520     0.0000
 87   0     0.7757     1.0000     0.2243     0.9721     0.9721     0.0000
 88   0     8.5274     8.0000    -0.5274     1.8974     1.8974     0.0000
 89   0     0.7349     1.0000     0.2651     0.9609     0.9609    -0.0000
 90   0     0.7411     1.0000     0.2589     0.9538     0.9538     0.0000
 91   0     8.4863     8.0000    -0.4863     1.9317     1.9317    -0.0000
 92   0     0.7176     1.0000     0.2824     0.9327     0.9327     0.0000
 93   0     0.7623     1.0000     0.2377     0.9761     0.9761    -0.0000
 94   0     8.4376     8.0000    -0.4376     1.9893     1.9893    -0.0000
 95   0     0.7461     1.0000     0.2539     0.9724     0.9724     0.0000
 96   0     0.7829     1.0000     0.2171     0.9892     0.9892     0.0000
 97   0     8.5504     8.0000    -0.5504     1.9101     1.9101     0.0000
 98   0     0.7102     1.0000     0.2898     0.9545     0.9545     0.0000
 99   0     0.7132     1.0000     0.2868     0.9406     0.9406     0.0000
100   0     8.6792     8.0000    -0.6792     1.7447     1.7447    -0.0000
101   0     0.6770     1.0000     0.3230     0.9101     0.9101    -0.0000
102   0     0.6831     1.0000     0.3169     0.9134     0.9134     0.0000
103   0     8.6130     8.0000    -0.6130     1.8561     1.8561     0.0000
104   0     0.7175     1.0000     0.2825     0.9442     0.9442     0.0000
105   0     0.6278     1.0000     0.3722     0.9039     0.9039     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
236   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
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            1                0.990261
                0             6               2            1                0.948219
                0             6               3            6                0.766150
                0             6              14            8                0.785548
                3             6               4            1                1.037772
                3             6               5            1                1.066478
                3             6               6            6                0.770961
                3             6               9            6                0.174206
                6             6               7            1                0.958297
                6             6               8            1                1.028778
                6             6               9            6                0.804094
                9             6              10            1                0.972124
                9             6              11            1                0.966871
                9             6              12            8                0.798444
               12             8              13            1                0.932456
               14             8              15            1                0.862508
               16             8              17            1                0.887604
               16             8              18            1                0.941155
               19             8              20            1                0.893421
               19             8              21            1                0.948060
               22             8              23            1                0.919154
               22             8              24            1                0.957434
               25             8              26            1                0.950484
               25             8              27            1                0.963564
               28             8              29            1                0.917135
               28             8              30            1                0.900490
               31             8              32            1                0.924421
               31             8              33            1                0.929751
               34             8              35            1                0.974631
               34             8              36            1                0.965182
               37             8              38            1                0.952819
               37             8              39            1                0.906175
               40             8              41            1                0.963081
               40             8              42            1                0.901912
               43             8              44            1                0.971922
               43             8              45            1                0.957831
               46             8              47            1                0.955604
               46             8              48            1                0.924424
               49             8              50            1                0.907032
               49             8              51            1                0.925920
               52             8              53            1                0.919822
               52             8              54            1                0.937660
               55             8              56            1                0.940466
               55             8              57            1                0.907182
               58             8              59            1                0.930438
               58             8              60            1                0.926381
               61             8              62            1                0.941171
               61             8              63            1                0.972049
               64             8              65            1                0.925911
               64             8              66            1                0.904344
               67             8              68            1                0.940521
               67             8              69            1                0.957037
               70             8              71            1                0.949471
               70             8              72            1                0.904686
               73             8              74            1                0.799117
               73             8              75            1                0.933870
               76             8              77            1                0.844040
               76             8              78            1                0.935214
               79             8              80            1                0.898518
               79             8              81            1                0.887767
               82             8              83            1                0.890633
               82             8              84            1                0.918628
               85             8              86            1                0.937272
               85             8              87            1                0.912613
               88             8              89            1                0.907881
               88             8              90            1                0.937852
               91             8              92            1                0.914955
               91             8              93            1                0.962939
               94             8              95            1                0.959339
               94             8              96            1                0.977110
               97             8              98            1                0.935529
               97             8              99            1                0.917859
              100             8             101            1                0.835250
              100             8             102            1                0.903248
              103             8             104            1                0.916685
              103             8             105            1                0.796831
# -----------------------------------------------------------
$ SCF_Electric_Properties
   description: The SCF Calculated Electric Properties
   geom. index: 1
   prop. index: 1
       Filename                          : final089.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) :       29.6157368384
        Electronic Contribution:
                  0    
      0       0.297681
      1      -2.062262
      2       1.138224
        Nuclear Contribution:
                  0    
      0       6.887973
      1      -7.072270
      2      -0.311210
        Total Dipole moment:
                  0    
      0       7.185654
      1      -9.134532
      2       0.827014
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    586 
    Geometry Index:     1 
    Coordinates:
               0 C      9.380000000000   11.240000000000   11.640000000000
               1 H      8.350000000000   11.460000000000   11.630000000000
               2 H      9.830000000000   11.790000000000   12.480000000000
               3 C      9.960000000000   11.620000000000   10.300000000000
               4 H      9.860000000000   10.880000000000    9.580000000000
               5 H      9.320000000000   12.350000000000    9.890000000000
               6 C     11.420000000000   11.990000000000   10.340000000000
               7 H     11.850000000000   12.650000000000   11.140000000000
               8 H     11.590000000000   12.420000000000    9.360000000000
               9 C     12.350000000000   10.740000000000   10.270000000000
              10 H     13.400000000000   10.940000000000   10.500000000000
              11 H     12.290000000000   10.280000000000    9.270000000000
              12 O     11.920000000000    9.760000000000   11.320000000000
              13 H     12.590000000000    9.090000000000   11.340000000000
              14 O      9.450000000000    9.760000000000   11.890000000000
              15 H     10.380000000000    9.470000000000   11.760000000000
              16 O     14.590000000000    8.100000000000   11.450000000000
              17 H     14.700000000000    7.950000000000   10.500000000000
              18 H     14.260000000000    7.230000000000   11.790000000000
              19 O     15.020000000000   11.400000000000    8.610000000000
              20 H     15.500000000000   11.230000000000    7.750000000000
              21 H     15.720000000000   11.320000000000    9.240000000000
              22 O     13.580000000000   13.970000000000    8.600000000000
              23 H     14.210000000000   13.250000000000    8.700000000000
              24 H     13.390000000000   13.960000000000    7.710000000000
              25 O     10.890000000000   12.560000000000   14.300000000000
              26 H     11.650000000000   12.890000000000   13.820000000000
              27 H     10.190000000000   13.190000000000   14.150000000000
              28 O     12.220000000000    8.730000000000   14.530000000000
              29 H     11.940000000000    9.180000000000   13.740000000000
              30 H     11.550000000000    9.160000000000   15.120000000000
              31 O     14.830000000000    8.200000000000    8.670000000000
              32 H     15.320000000000    9.040000000000    8.540000000000
              33 H     14.050000000000    8.180000000000    8.100000000000
              34 O     12.940000000000   14.910000000000   13.200000000000
              35 H     12.940000000000   15.290000000000   12.320000000000
              36 H     13.840000000000   14.630000000000   13.390000000000
              37 O      7.310000000000   10.740000000000   15.180000000000
              38 H      7.660000000000   10.790000000000   14.270000000000
              39 H      7.920000000000   11.210000000000   15.770000000000
              40 O     10.050000000000   10.430000000000   15.980000000000
              41 H     10.140000000000   10.590000000000   16.930000000000
              42 H     10.270000000000   11.220000000000   15.510000000000
              43 O     15.330000000000    5.280000000000    8.150000000000
              44 H     15.700000000000    6.130000000000    8.180000000000
              45 H     14.470000000000    5.270000000000    8.610000000000
              46 O     16.770000000000   12.200000000000   11.090000000000
              47 H     17.460000000000   11.560000000000   11.370000000000
              48 H     16.290000000000   12.340000000000   11.990000000000
              49 O     16.260000000000   14.840000000000    7.100000000000
              50 H     15.480000000000   14.390000000000    6.780000000000
              51 H     16.490000000000   14.320000000000    7.850000000000
              52 O     15.020000000000   12.130000000000    5.670000000000
              53 H     14.150000000000   11.750000000000    5.900000000000
              54 H     15.560000000000   11.350000000000    5.390000000000
              55 O     10.710000000000   13.810000000000   17.140000000000
              56 H      9.790000000000   13.610000000000   17.190000000000
              57 H     11.040000000000   13.230000000000   16.430000000000
              58 O      8.340000000000   14.220000000000   14.890000000000
              59 H      7.410000000000   14.240000000000   14.640000000000
              60 H      8.750000000000   14.980000000000   14.490000000000
              61 O     11.810000000000   16.710000000000    7.700000000000
              62 H     11.780000000000   16.630000000000    6.730000000000
              63 H     12.390000000000   16.080000000000    8.090000000000
              64 O     16.930000000000   10.230000000000    6.790000000000
              65 H     17.240000000000   10.260000000000    7.690000000000
              66 H     16.910000000000    9.290000000000    6.490000000000
              67 O     17.910000000000   10.060000000000    9.570000000000
              68 H     18.740000000000   10.480000000000    9.430000000000
              69 H     18.120000000000    9.530000000000   10.320000000000
              70 O      8.840000000000    8.120000000000   14.340000000000
              71 H      8.440000000000    8.540000000000   15.140000000000
              72 H      9.090000000000    8.850000000000   13.780000000000
              73 O     11.640000000000    6.280000000000   11.170000000000
              74 H     12.060000000000    6.340000000000   12.070000000000
              75 H     10.700000000000    6.570000000000   11.340000000000
              76 O     15.700000000000    9.760000000000   13.100000000000
              77 H     15.280000000000    9.270000000000   12.350000000000
              78 H     15.110000000000   10.510000000000   13.380000000000
              79 O     12.120000000000    5.890000000000    8.530000000000
              80 H     12.010000000000    6.780000000000    8.120000000000
              81 H     11.930000000000    6.070000000000    9.480000000000
              82 O      6.600000000000   10.290000000000    9.610000000000
              83 H      7.300000000000    9.660000000000    9.760000000000
              84 H      6.740000000000   10.850000000000    8.820000000000
              85 O     13.870000000000   11.630000000000   14.700000000000
              86 H     14.200000000000   11.420000000000   15.540000000000
              87 H     13.200000000000   11.010000000000   14.470000000000
              88 O     11.980000000000   15.250000000000   10.430000000000
              89 H     12.630000000000   14.710000000000    9.980000000000
              90 H     11.120000000000   15.030000000000   10.080000000000
              91 O      8.640000000000    8.530000000000    9.220000000000
              92 H      8.890000000000    8.430000000000   10.130000000000
              93 H      8.100000000000    7.800000000000    9.000000000000
              94 O     12.510000000000    8.090000000000    6.900000000000
              95 H     12.880000000000    8.010000000000    6.020000000000
              96 H     11.850000000000    8.790000000000    6.870000000000
              97 O     13.480000000000   14.540000000000    5.900000000000
              98 H     13.930000000000   15.440000000000    5.840000000000
              99 H     13.810000000000   13.900000000000    5.280000000000
             100 O      5.530000000000   12.520000000000   10.870000000000
             101 H      6.090000000000   11.810000000000   10.530000000000
             102 H      5.840000000000   13.380000000000   10.520000000000
             103 O     12.930000000000    6.410000000000   13.470000000000
             104 H     13.760000000000    6.090000000000   13.890000000000
             105 H     12.690000000000    7.270000000000   14.020000000000
             106 Q     19.300000000000   16.170000000000   12.260000000000
             107 Q     17.780000000000   16.160000000000   12.410000000000
             108 Q     18.530000000000   15.870000000000   12.170000000000
             109 Q      8.040000000000   17.340000000000    5.970000000000
             110 Q      6.690000000000   17.680000000000    6.530000000000
             111 Q      7.420000000000   17.870000000000    6.170000000000
             112 Q      3.820000000000   13.380000000000    5.030000000000
             113 Q      4.230000000000   12.160000000000    5.710000000000
             114 Q      4.360000000000   12.880000000000    5.340000000000
             115 Q      4.740000000000   14.040000000000   13.990000000000
             116 Q      5.800000000000   14.690000000000   13.160000000000
             117 Q      5.500000000000   14.360000000000   13.850000000000
             118 Q     14.860000000000   17.330000000000   10.660000000000
             119 Q     14.110000000000   18.200000000000   11.930000000000
             120 Q     14.360000000000   17.490000000000   11.410000000000
             121 Q      9.690000000000    5.530000000000    4.490000000000
             122 Q      9.260000000000    4.780000000000    5.630000000000
             123 Q      9.160000000000    5.070000000000    4.890000000000
             124 Q      9.310000000000   14.890000000000   20.350000000000
             125 Q      8.970000000000   15.990000000000   19.320000000000
             126 Q      8.920000000000   15.570000000000   20.050000000000
             127 Q      5.790000000000   10.230000000000   18.610000000000
             128 Q      6.970000000000   10.400000000000   17.550000000000
             129 Q      6.420000000000    9.990000000000   18.060000000000
             130 Q      8.400000000000    4.970000000000   18.260000000000
             131 Q      9.400000000000    5.690000000000   17.440000000000
             132 Q      9.000000000000    5.520000000000   18.150000000000
             133 Q     13.500000000000   10.120000000000   19.190000000000
             134 Q     12.650000000000    9.770000000000   18.070000000000
             135 Q     13.200000000000   10.250000000000   18.450000000000
             136 Q      9.380000000000   15.470000000000   16.940000000000
             137 Q      8.090000000000   15.940000000000   16.670000000000
             138 Q      8.790000000000   15.930000000000   17.110000000000
             139 Q     18.210000000000    3.490000000000    8.930000000000
             140 Q     16.590000000000    3.850000000000    8.680000000000
             141 Q     17.320000000000    3.400000000000    9.000000000000
             142 Q     14.500000000000   16.580000000000    3.490000000000
             143 Q     13.930000000000   15.170000000000    3.190000000000
             144 Q     14.040000000000   16.010000000000    3.090000000000
             145 Q     13.390000000000    2.540000000000   16.130000000000
             146 Q     12.410000000000    2.350000000000   15.110000000000
             147 Q     13.110000000000    2.150000000000   15.490000000000
             148 Q     15.900000000000    4.750000000000   13.630000000000
             149 Q     16.410000000000    5.970000000000   12.950000000000
             150 Q     15.850000000000    5.500000000000   13.330000000000
             151 Q      6.160000000000    6.500000000000    1.460000000000
             152 Q      6.030000000000    8.040000000000    2.210000000000
             153 Q      6.260000000000    7.400000000000    1.600000000000
             154 Q     12.750000000000    0.740000000000   13.690000000000
             155 Q     11.650000000000    0.620000000000   12.690000000000
             156 Q     12.260000000000    0.320000000000   13.160000000000
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             509 Q     13.700000000000    2.770000000000   12.730000000000
             510 Q     14.290000000000    2.290000000000   12.440000000000
             511 Q     10.650000000000    8.580000000000    4.120000000000
             512 Q      9.740000000000    9.680000000000    4.350000000000
             513 Q     10.470000000000    9.370000000000    4.190000000000
             514 Q     15.460000000000    2.350000000000   13.800000000000
             515 Q     15.610000000000    2.300000000000   15.330000000000
             516 Q     15.830000000000    2.520000000000   14.520000000000
             517 Q     19.360000000000   12.740000000000    6.150000000000
             518 Q     20.830000000000   12.370000000000    5.860000000000
             519 Q     20.090000000000   12.250000000000    6.220000000000
             520 Q     10.100000000000   16.460000000000    8.690000000000
             521 Q      8.650000000000   16.590000000000    9.310000000000
             522 Q      9.370000000000   16.180000000000    9.070000000000
             523 Q      4.660000000000    7.750000000000   15.000000000000
             524 Q      4.800000000000    7.820000000000   13.580000000000
             525 Q      4.350000000000    7.780000000000   14.250000000000
             526 Q      7.740000000000    2.840000000000    8.980000000000
             527 Q      8.470000000000    1.660000000000    8.280000000000
             528 Q      8.210000000000    2.460000000000    8.370000000000
             529 Q     -0.540000000000    7.510000000000   13.140000000000
             530 Q      0.860000000000    7.100000000000   12.420000000000
             531 Q      0.160000000000    7.010000000000   12.930000000000
             532 Q     18.280000000000    5.280000000000   12.400000000000
             533 Q     18.830000000000    6.670000000000   12.240000000000
             534 Q     18.320000000000    6.110000000000   12.570000000000
             535 Q     18.680000000000   14.060000000000   18.090000000000
             536 Q     17.800000000000   14.900000000000   17.010000000000
             537 Q     18.210000000000   14.700000000000   17.790000000000
             538 Q     13.810000000000   12.930000000000    2.350000000000
             539 Q     12.540000000000   12.770000000000    3.210000000000
             540 Q     13.290000000000   13.100000000000    2.970000000000
             541 Q     15.090000000000    1.340000000000    6.780000000000
             542 Q     14.720000000000    2.810000000000    7.000000000000
             543 Q     15.200000000000    2.160000000000    6.890000000000
             544 Q     19.140000000000    5.630000000000    6.300000000000
             545 Q     19.360000000000    4.970000000000    7.690000000000
             546 Q     19.030000000000    5.540000000000    7.140000000000
             547 Q     20.170000000000   12.290000000000   14.050000000000
             548 Q     19.410000000000   12.980000000000   13.030000000000
             549 Q     19.470000000000   12.570000000000   13.720000000000
             550 Q     15.890000000000   16.780000000000   14.100000000000
             551 Q     15.720000000000   16.890000000000   12.540000000000
             552 Q     16.150000000000   16.920000000000   13.260000000000
             553 Q     17.660000000000    2.770000000000   15.150000000000
             554 Q     18.620000000000    2.320000000000   16.210000000000
             555 Q     18.380000000000    2.790000000000   15.570000000000
             556 Q     12.050000000000   19.720000000000    4.550000000000
             557 Q     13.260000000000   20.260000000000    5.430000000000
             558 Q     12.560000000000   19.810000000000    5.240000000000
             559 Q      6.140000000000    4.470000000000   17.740000000000
             560 Q      4.720000000000    5.020000000000   17.790000000000
             561 Q      5.550000000000    5.030000000000   17.910000000000
             562 Q      7.000000000000    6.050000000000    4.570000000000
             563 Q      6.110000000000    4.940000000000    5.110000000000
             564 Q      6.300000000000    5.710000000000    4.830000000000
             565 Q      5.780000000000    2.010000000000   12.710000000000
             566 Q      5.440000000000    3.260000000000   13.610000000000
             567 Q      5.890000000000    2.640000000000   13.270000000000
             568 Q      5.500000000000   10.510000000000    3.090000000000
             569 Q      6.250000000000    9.580000000000    4.080000000000
             570 Q      5.750000000000    9.780000000000    3.400000000000
             571 Q      2.360000000000    6.270000000000   11.410000000000
             572 Q      1.040000000000    6.550000000000   10.970000000000
             573 Q      1.810000000000    6.780000000000   11.140000000000
             574 Q     15.290000000000   18.020000000000    5.700000000000
             575 Q     13.750000000000   18.260000000000    5.360000000000
             576 Q     14.540000000000   17.920000000000    5.270000000000
             577 Q     11.830000000000    6.770000000000    3.960000000000
             578 Q     10.900000000000    6.710000000000    2.760000000000
             579 Q     11.080000000000    6.740000000000    3.590000000000
             580 Q      9.860000000000   12.390000000000   20.770000000000
             581 Q     10.940000000000   13.180000000000   19.990000000000
             582 Q     10.210000000000   13.080000000000   20.390000000000
             583 Q     16.840000000000    9.340000000000   20.000000000000
             584 Q     16.670000000000    8.170000000000   18.930000000000
             585 Q     16.410000000000    8.800000000000   19.470000000000
