-------------------------------------------------------------
----------------------- !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:    -2457.5020883889
# -----------------------------------------------------------
$ DFT_Energy
   description: The DFT energy
   geom. index: 1
   prop. index: 1
   Number of Alpha Electrons                155.0001791811 
   Number of Beta  Electrons                155.0001791811 
   Total number of  Electrons               310.0003583622 
   Exchange energy                         -217.2172803491 
   Correlation energy                       -12.5452411822 
   Correlation energy NL                      0.0000000000 
   Exchange-Correlation energy             -229.7625215313 
   Embedding correction                       0.0000000000 
   Total DFT Energy (No VdW correction)   -2457.5020883889 
# -----------------------------------------------------------
$ 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       : 71
  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     6.3317     6.0000    -0.3317     3.6131     3.6131    -0.0000
  1   0     0.7595     1.0000     0.2405     0.9478     0.9478    -0.0000
  2   0     0.7942     1.0000     0.2058     0.9215     0.9215    -0.0000
  3   0     6.3487     6.0000    -0.3487     3.3083     3.3083     0.0000
  4   0     0.8042     1.0000     0.1958     0.9406     0.9406     0.0000
  5   0     0.8228     1.0000     0.1772     0.9848     0.9848     0.0000
  6   0     6.1213     6.0000    -0.1213     3.3845     3.3845    -0.0000
  7   0     0.8486     1.0000     0.1514     0.9992     0.9992    -0.0000
  8   0     0.7844     1.0000     0.2156     0.9787     0.9787    -0.0000
  9   0     6.3346     6.0000    -0.3346     3.8241     3.8241    -0.0000
 10   0     0.8413     1.0000     0.1587     0.9641     0.9641    -0.0000
 11   0     0.7963     1.0000     0.2037     0.9725     0.9725     0.0000
 12   0     8.5418     8.0000    -0.5418     1.8140     1.8140     0.0000
 13   0     0.7807     1.0000     0.2193     1.0093     1.0093    -0.0000
 14   0     8.3758     8.0000    -0.3758     1.7364     1.7364     0.0000
 15   0     0.7206     1.0000     0.2794     0.9200     0.9200     0.0000
 16   0     8.5542     8.0000    -0.5542     1.9130     1.9130    -0.0000
 17   0     0.7553     1.0000     0.2447     0.9819     0.9819     0.0000
 18   0     0.7157     1.0000     0.2843     0.9419     0.9419    -0.0000
 19   0     8.6750     8.0000    -0.6750     1.9847     1.9847    -0.0000
 20   0     0.6802     1.0000     0.3198     0.9453     0.9453    -0.0000
 21   0     0.6919     1.0000     0.3081     0.9301     0.9301    -0.0000
 22   0     8.6056     8.0000    -0.6056     1.9036     1.9036    -0.0000
 23   0     0.7606     1.0000     0.2394     0.9673     0.9673     0.0000
 24   0     0.6828     1.0000     0.3172     0.9295     0.9295     0.0000
 25   0     8.5504     8.0000    -0.5504     2.0789     2.0789     0.0000
 26   0     0.6464     1.0000     0.3536     0.9198     0.9198    -0.0000
 27   0     0.7630     1.0000     0.2370     0.9932     0.9932    -0.0000
 28   0     8.5753     8.0000    -0.5753     1.9690     1.9690     0.0000
 29   0     0.7684     1.0000     0.2316     0.9796     0.9796    -0.0000
 30   0     0.7022     1.0000     0.2978     0.9573     0.9573     0.0000
 31   0     8.5627     8.0000    -0.5627     1.9455     1.9455    -0.0000
 32   0     0.7000     1.0000     0.3000     0.9210     0.9210     0.0000
 33   0     0.6871     1.0000     0.3129     0.9535     0.9535    -0.0000
 34   0     8.5938     8.0000    -0.5938     1.9005     1.9005     0.0000
 35   0     0.6613     1.0000     0.3387     0.8972     0.8972     0.0000
 36   0     0.7219     1.0000     0.2781     0.9709     0.9709     0.0000
 37   0     8.5734     8.0000    -0.5734     1.9249     1.9249    -0.0000
 38   0     0.6935     1.0000     0.3065     0.9535     0.9535     0.0000
 39   0     0.7154     1.0000     0.2846     0.9649     0.9649     0.0000
 40   0     8.5355     8.0000    -0.5355     1.8069     1.8069     0.0000
 41   0     0.7632     1.0000     0.2368     1.0004     1.0004     0.0000
 42   0     0.7415     1.0000     0.2585     0.9907     0.9907    -0.0000
 43   0     8.6025     8.0000    -0.6025     1.9089     1.9089    -0.0000
 44   0     0.6580     1.0000     0.3420     0.9101     0.9101     0.0000
 45   0     0.6892     1.0000     0.3108     0.9324     0.9324     0.0000
 46   0     8.6075     8.0000    -0.6075     1.8296     1.8296     0.0000
 47   0     0.6819     1.0000     0.3181     0.9447     0.9447    -0.0000
 48   0     0.7198     1.0000     0.2802     0.9988     0.9988     0.0000
 49   0     8.6440     8.0000    -0.6440     1.8158     1.8158    -0.0000
 50   0     0.6687     1.0000     0.3313     0.9158     0.9158    -0.0000
 51   0     0.7038     1.0000     0.2962     0.9429     0.9429    -0.0000
 52   0     8.6263     8.0000    -0.6263     1.7816     1.7816     0.0000
 53   0     0.6945     1.0000     0.3055     0.9261     0.9261     0.0000
 54   0     0.6489     1.0000     0.3511     0.8941     0.8941     0.0000
 55   0     8.5775     8.0000    -0.5775     1.8376     1.8376     0.0000
 56   0     0.6868     1.0000     0.3132     0.9393     0.9393     0.0000
 57   0     0.7474     1.0000     0.2526     0.9788     0.9788    -0.0000
 58   0     8.6079     8.0000    -0.6079     1.8632     1.8632    -0.0000
 59   0     0.6417     1.0000     0.3583     0.9015     0.9015    -0.0000
 60   0     0.7480     1.0000     0.2520     0.9734     0.9734    -0.0000
 61   0     8.6622     8.0000    -0.6622     1.8393     1.8393    -0.0000
 62   0     0.7117     1.0000     0.2883     1.0228     1.0228     0.0000
 63   0     0.6546     1.0000     0.3454     0.9340     0.9340    -0.0000
 64   0     8.5189     8.0000    -0.5189     1.9691     1.9691     0.0000
 65   0     0.7266     1.0000     0.2734     0.9483     0.9483     0.0000
 66   0     0.7623     1.0000     0.2377     0.9951     0.9951     0.0000
 67   0     8.5842     8.0000    -0.5842     1.8321     1.8321    -0.0000
 68   0     0.6820     1.0000     0.3180     0.9276     0.9276     0.0000
 69   0     0.7406     1.0000     0.2594     0.9671     0.9671    -0.0000
 70   0     8.6707     8.0000    -0.6707     1.8667     1.8667    -0.0000
 71   0     0.6102     1.0000     0.3898     0.9058     0.9058     0.0000
 72   0     0.6938     1.0000     0.3062     0.9357     0.9357    -0.0000
 73   0     8.4022     8.0000    -0.4022     1.8930     1.8930    -0.0000
 74   0     0.7976     1.0000     0.2024     0.9692     0.9692     0.0000
 75   0     0.7993     1.0000     0.2007     0.9967     0.9967     0.0000
 76   0     8.5937     8.0000    -0.5937     1.9192     1.9192     0.0000
 77   0     0.7007     1.0000     0.2993     0.9614     0.9614     0.0000
 78   0     0.6907     1.0000     0.3093     0.9583     0.9583    -0.0000
 79   0     8.5031     8.0000    -0.5031     1.9632     1.9632    -0.0000
 80   0     0.7621     1.0000     0.2379     0.9719     0.9719     0.0000
 81   0     0.6703     1.0000     0.3297     0.9231     0.9231    -0.0000
 82   0     8.5789     8.0000    -0.5789     1.7801     1.7801    -0.0000
 83   0     0.7257     1.0000     0.2743     0.9688     0.9688     0.0000
 84   0     0.6955     1.0000     0.3045     0.9588     0.9588    -0.0000
 85   0     8.6503     8.0000    -0.6503     1.7824     1.7824    -0.0000
 86   0     0.7018     1.0000     0.2982     0.9512     0.9512    -0.0000
 87   0     0.6662     1.0000     0.3338     0.9441     0.9441    -0.0000
 88   0     8.5995     8.0000    -0.5995     1.8524     1.8524     0.0000
 89   0     0.6893     1.0000     0.3107     0.9357     0.9357     0.0000
 90   0     0.7098     1.0000     0.2902     0.9527     0.9527     0.0000
 91   0     8.5373     8.0000    -0.5373     1.8488     1.8488     0.0000
 92   0     0.7572     1.0000     0.2428     0.9749     0.9749    -0.0000
 93   0     0.7140     1.0000     0.2860     0.9511     0.9511    -0.0000
 94   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
 95   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
 96   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
 97   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
 98   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
 99   0     0.0000    -1.3290    -1.3290     0.0000     0.0000     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
236   0     0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
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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                0.988072
                0             6               2            1                1.017611
                0             6               3            6                0.538764
                0             6               6            6                0.172819
                0             6              14            8                0.706780
                3             6               4            1                1.013129
                3             6               5            1                1.015941
                3             6               6            6                0.741380
                3             6               9            6                0.153057
                6             6               7            1                0.971605
                6             6               8            1                0.982859
                6             6               9            6                0.663495
                6             6              12            8               -0.137803
                9             6              10            1                1.018281
                9             6              11            1                1.018155
                9             6              12            8                0.882689
               12             8              13            1                0.945430
               14             8              15            1                0.949345
               16             8              17            1                0.945030
               16             8              18            1                0.930570
               19             8              20            1                0.876917
               19             8              21            1                0.907285
               19             8              84            1                0.109370
               22             8              23            1                0.959146
               22             8              24            1                0.867011
               25             8              26            1                0.863341
               25             8              27            1                0.933291
               28             8              29            1                0.949976
               28             8              30            1                0.906987
               31             8              32            1                0.914927
               31             8              33            1                0.888469
               34             8              35            1                0.888668
               34             8              36            1                0.961866
               37             8              38            1                0.940858
               37             8              39            1                0.951937
               40             8              41            1                0.899648
               40             8              42            1                0.944134
               43             8              44            1                0.899080
               43             8              45            1                0.931150
               46             8              47            1                0.929930
               46             8              48            1                0.925031
               49             8              50            1                0.869801
               49             8              51            1                0.925720
               52             8              53            1                0.879449
               52             8              54            1                0.878566
               55             8              56            1                0.864671
               55             8              57            1                0.946268
               58             8              59            1                0.838605
               58             8              60            1                0.957971
               61             8              62            1                0.920501
               61             8              63            1                0.918162
               64             8              65            1                0.934574
               64             8              66            1                0.954617
               67             8              68            1                0.916328
               67             8              69            1                0.920984
               70             8              71            1                0.783703
               70             8              72            1                0.917906
               73             8              74            1                0.934779
               73             8              75            1                0.974299
               76             8              77            1                0.955511
               76             8              78            1                0.952818
               79             8              80            1                0.968022
               79             8              81            1                0.909473
               82             8              83            1                0.944433
               82             8              84            1                0.831397
               85             8              86            1                0.883277
               85             8              87            1                0.929662
               88             8              89            1                0.869905
               88             8              90            1                0.938483
               91             8              92            1                0.947640
               91             8              93            1                0.904181
# -----------------------------------------------------------
$ SCF_Electric_Properties
   description: The SCF Calculated Electric Properties
   geom. index: 1
   prop. index: 1
       Filename                          : final087.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) :       26.0923017392
        Electronic Contribution:
                  0    
      0      -0.399772
      1      -1.749496
      2       1.419056
        Nuclear Contribution:
                  0    
      0       7.820028
      1      -5.030620
      2      -3.503782
        Total Dipole moment:
                  0    
      0       7.420256
      1      -6.780116
      2      -2.084726
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    592 
    Geometry Index:     1 
    Coordinates:
               0 C      9.600000000000   12.380000000000   10.240000000000
               1 H      9.330000000000   11.670000000000    9.500000000000
               2 H      9.500000000000   13.360000000000    9.740000000000
               3 C     11.040000000000   12.220000000000   10.580000000000
               4 H     11.630000000000   12.410000000000    9.730000000000
               5 H     11.430000000000   12.770000000000   11.390000000000
               6 C     11.110000000000   10.670000000000   10.980000000000
               7 H     10.890000000000   10.110000000000   10.090000000000
               8 H     10.370000000000   10.410000000000   11.750000000000
               9 C     12.480000000000   10.270000000000   11.500000000000
              10 H     12.620000000000   10.730000000000   12.500000000000
              11 H     13.200000000000   10.580000000000   10.790000000000
              12 O     12.560000000000    8.830000000000   11.580000000000
              13 H     13.390000000000    8.650000000000   12.090000000000
              14 O      8.610000000000   12.280000000000   11.290000000000
              15 H      8.650000000000   13.080000000000   11.820000000000
              16 O      7.550000000000    8.760000000000   12.340000000000
              17 H      8.210000000000    8.450000000000   11.680000000000
              18 H      7.410000000000    8.020000000000   12.990000000000
              19 O      7.860000000000   14.540000000000   13.050000000000
              20 H      7.250000000000   15.030000000000   12.410000000000
              21 H      8.740000000000   14.960000000000   13.080000000000
              22 O      8.720000000000   14.540000000000    7.040000000000
              23 H      8.430000000000   14.260000000000    6.150000000000
              24 H      7.890000000000   14.400000000000    7.520000000000
              25 O      6.430000000000   11.310000000000    8.450000000000
              26 H      7.300000000000   11.000000000000    8.050000000000
              27 H      6.420000000000   10.750000000000    9.280000000000
              28 O     13.060000000000   15.400000000000   11.620000000000
              29 H     12.300000000000   15.440000000000   12.200000000000
              30 H     13.840000000000   15.630000000000   12.150000000000
              31 O      6.420000000000   15.420000000000   10.960000000000
              32 H      6.930000000000   16.190000000000   10.660000000000
              33 H      6.470000000000   14.960000000000   10.100000000000
              34 O     14.880000000000    9.080000000000   13.740000000000
              35 H     14.470000000000    9.160000000000   14.590000000000
              36 H     15.480000000000    9.800000000000   13.550000000000
              37 O      7.030000000000    6.820000000000   14.380000000000
              38 H      7.600000000000    7.140000000000   15.120000000000
              39 H      7.410000000000    6.040000000000   13.970000000000
              40 O      8.050000000000   11.460000000000   14.530000000000
              41 H      7.830000000000   12.340000000000   14.850000000000
              42 H      7.430000000000   11.270000000000   13.770000000000
              43 O     10.590000000000   15.160000000000   13.280000000000
              44 H     10.600000000000   15.970000000000   13.890000000000
              45 H     10.670000000000   14.350000000000   13.830000000000
              46 O     13.980000000000   17.740000000000   14.510000000000
              47 H     13.500000000000   18.580000000000   14.290000000000
              48 H     14.150000000000   17.290000000000   13.650000000000
              49 O     15.550000000000   10.630000000000    9.770000000000
              50 H     15.200000000000   11.400000000000   10.260000000000
              51 H     16.460000000000   10.660000000000    9.540000000000
              52 O      8.620000000000    8.250000000000    8.300000000000
              53 H      9.070000000000    8.130000000000    9.150000000000
              54 H      8.100000000000    7.450000000000    8.190000000000
              55 O      5.990000000000   11.330000000000   11.710000000000
              56 H      6.860000000000   11.680000000000   11.460000000000
              57 H      6.090000000000   10.380000000000   11.850000000000
              58 O     10.100000000000    7.470000000000   10.960000000000
              59 H     10.930000000000    7.990000000000   11.280000000000
              60 H     10.280000000000    6.530000000000   11.070000000000
              61 O      4.160000000000   11.340000000000    6.880000000000
              62 H      4.980000000000   11.320000000000    7.360000000000
              63 H      3.810000000000   10.460000000000    6.530000000000
              64 O      8.550000000000   10.390000000000    6.850000000000
              65 H      8.170000000000   10.320000000000    5.960000000000
              66 H      8.540000000000    9.550000000000    7.240000000000
              67 O     14.940000000000    7.800000000000    9.910000000000
              68 H     14.180000000000    7.320000000000   10.260000000000
              69 H     14.730000000000    8.700000000000   10.060000000000
              70 O      6.480000000000   13.990000000000    8.370000000000
              71 H      6.440000000000   12.970000000000    8.530000000000
              72 H      5.590000000000   14.310000000000    8.040000000000
              73 O     14.900000000000   12.890000000000   10.890000000000
              74 H     14.570000000000   13.650000000000   11.290000000000
              75 H     15.770000000000   12.820000000000   11.290000000000
              76 O      8.330000000000   14.270000000000    3.980000000000
              77 H      9.100000000000   14.580000000000    3.460000000000
              78 H      8.220000000000   13.390000000000    3.610000000000
              79 O     15.120000000000   15.670000000000   13.290000000000
              80 H     15.040000000000   15.340000000000   14.180000000000
              81 H     16.050000000000   15.480000000000   12.990000000000
              82 O      6.830000000000   13.760000000000   15.370000000000
              83 H      6.790000000000   14.530000000000   16.020000000000
              84 H      6.990000000000   14.110000000000   14.470000000000
              85 O      8.350000000000   17.400000000000    6.860000000000
              86 H      8.380000000000   16.470000000000    6.680000000000
              87 H      7.760000000000   17.860000000000    6.230000000000
              88 O     13.520000000000   15.550000000000    8.850000000000
              89 H     13.570000000000   15.510000000000    9.850000000000
              90 H     14.230000000000   14.990000000000    8.530000000000
              91 O     10.680000000000   16.090000000000    8.730000000000
              92 H     11.560000000000   15.780000000000    8.750000000000
              93 H     10.110000000000   15.290000000000    8.570000000000
              94 Q     17.790000000000   16.740000000000   12.670000000000
              95 Q     18.520000000000   15.410000000000   12.230000000000
              96 Q     17.870000000000   15.910000000000   12.540000000000
              97 Q     16.670000000000   15.800000000000   16.310000000000
              98 Q     15.500000000000   14.930000000000   16.880000000000
              99 Q     16.160000000000   15.120000000000   16.370000000000
             100 Q      5.830000000000   16.340000000000    4.280000000000
             101 Q      7.090000000000   15.520000000000    3.900000000000
             102 Q      6.570000000000   16.170000000000    3.840000000000
             103 Q     12.600000000000   20.180000000000   10.150000000000
             104 Q     12.630000000000   21.160000000000   11.380000000000
             105 Q     12.790000000000   20.400000000000   10.950000000000
             106 Q      3.730000000000   15.400000000000    3.830000000000
             107 Q      2.720000000000   14.350000000000    3.340000000000
             108 Q      3.470000000000   14.680000000000    3.440000000000
             109 Q     12.560000000000    8.450000000000    3.810000000000
             110 Q     13.740000000000    8.970000000000    4.740000000000
             111 Q     12.970000000000    8.660000000000    4.540000000000
             112 Q     20.060000000000   11.860000000000   14.200000000000
             113 Q     21.600000000000   11.940000000000   13.670000000000
             114 Q     20.740000000000   12.020000000000   13.630000000000
             115 Q     16.010000000000   -0.060000000000   11.860000000000
             116 Q     17.140000000000    0.830000000000   11.500000000000
             117 Q     16.360000000000    0.680000000000   11.780000000000
             118 Q     14.530000000000   15.160000000000   19.020000000000
             119 Q     14.320000000000   13.910000000000   18.090000000000
             120 Q     14.230000000000   14.700000000000   18.350000000000
             121 Q     19.720000000000    4.500000000000   11.500000000000
             122 Q     19.590000000000    4.500000000000   10.040000000000
             123 Q     19.810000000000    4.140000000000   10.740000000000
             124 Q      9.690000000000    5.520000000000   19.280000000000
             125 Q     10.430000000000    5.680000000000   20.640000000000
             126 Q      9.760000000000    5.630000000000   20.120000000000
             127 Q     20.830000000000    4.880000000000   13.950000000000
             128 Q     21.630000000000    3.630000000000   14.210000000000
             129 Q     21.190000000000    4.300000000000   14.420000000000
             130 Q      1.790000000000   13.470000000000    7.740000000000
             131 Q      3.090000000000   12.940000000000    7.230000000000
             132 Q      2.570000000000   13.540000000000    7.410000000000
             133 Q      4.560000000000   12.230000000000    5.330000000000
             134 Q      4.540000000000   13.280000000000    4.310000000000
             135 Q      4.780000000000   12.540000000000    4.570000000000
             136 Q     11.350000000000   19.520000000000    5.120000000000
             137 Q     12.280000000000   19.910000000000    4.040000000000
             138 Q     11.700000000000   20.070000000000    4.610000000000
             139 Q     12.920000000000    5.150000000000   10.600000000000
             140 Q     14.220000000000    4.980000000000   11.390000000000
             141 Q     13.570000000000    5.390000000000   11.080000000000
             142 Q     12.210000000000    1.350000000000   12.770000000000
             143 Q     13.160000000000    1.730000000000   11.620000000000
             144 Q     12.700000000000    1.230000000000   12.080000000000
             145 Q     20.380000000000    8.390000000000    9.950000000000
             146 Q     19.850000000000    6.950000000000    9.480000000000
             147 Q     20.290000000000    7.690000000000    9.440000000000
             148 Q     15.620000000000   12.320000000000   19.370000000000
             149 Q     15.500000000000   13.350000000000   20.580000000000
             150 Q     15.720000000000   12.610000000000   20.170000000000
             151 Q      3.190000000000    8.400000000000    5.770000000000
             152 Q      1.850000000000    9.120000000000    6.280000000000
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             505 Q     12.900000000000    1.200000000000    8.060000000000
             506 Q     13.750000000000    0.760000000000    9.120000000000
             507 Q     13.520000000000    0.780000000000    8.350000000000
             508 Q     10.810000000000    4.120000000000   10.480000000000
             509 Q     10.730000000000    5.130000000000    9.390000000000
             510 Q     10.950000000000    4.860000000000   10.170000000000
             511 Q      4.740000000000   11.310000000000   15.600000000000
             512 Q      4.600000000000   10.610000000000   16.890000000000
             513 Q      4.880000000000   10.700000000000   16.150000000000
             514 Q      7.010000000000    8.640000000000    3.890000000000
             515 Q      8.420000000000    8.220000000000    4.240000000000
             516 Q      7.800000000000    8.760000000000    4.120000000000
             517 Q     10.300000000000   17.870000000000    2.610000000000
             518 Q     11.070000000000   17.580000000000    3.890000000000
             519 Q     10.980000000000   17.590000000000    3.060000000000
             520 Q     17.110000000000   10.890000000000   13.160000000000
             521 Q     16.440000000000   11.880000000000   14.130000000000
             522 Q     16.560000000000   11.490000000000   13.400000000000
             523 Q      0.980000000000   11.690000000000   10.580000000000
             524 Q      1.280000000000   10.400000000000    9.820000000000
             525 Q      0.820000000000   11.080000000000   10.040000000000
             526 Q     11.810000000000   17.490000000000    6.280000000000
             527 Q     10.230000000000   17.410000000000    6.070000000000
             528 Q     11.050000000000   17.620000000000    5.870000000000
             529 Q     12.200000000000    3.470000000000    7.550000000000
             530 Q     11.000000000000    2.560000000000    7.510000000000
             531 Q     11.730000000000    2.860000000000    7.840000000000
             532 Q     20.070000000000   11.650000000000   16.560000000000
             533 Q     19.860000000000   10.300000000000   15.930000000000
             534 Q     19.660000000000   11.120000000000   16.070000000000
             535 Q      5.880000000000    3.620000000000    8.770000000000
             536 Q      6.670000000000    2.390000000000    8.240000000000
             537 Q      6.550000000000    3.210000000000    8.400000000000
             538 Q     12.310000000000   18.310000000000   18.240000000000
             539 Q     11.950000000000   19.840000000000   18.320000000000
             540 Q     11.840000000000   18.980000000000   18.470000000000
             541 Q     11.440000000000   12.520000000000    4.230000000000
             542 Q     11.260000000000   13.640000000000    3.150000000000
             543 Q     11.650000000000   13.000000000000    3.560000000000
             544 Q     16.060000000000   18.400000000000   16.830000000000
             545 Q     15.450000000000   17.660000000000   15.710000000000
             546 Q     16.060000000000   17.800000000000   16.270000000000
             547 Q     14.460000000000   -0.030000000000   17.440000000000
             548 Q     14.450000000000    0.940000000000   16.230000000000
             549 Q     14.170000000000    0.600000000000   16.950000000000
             550 Q     16.860000000000    7.930000000000    4.260000000000
             551 Q     16.200000000000    9.270000000000    4.070000000000
             552 Q     16.720000000000    8.650000000000    3.840000000000
             553 Q     14.320000000000   20.220000000000   12.010000000000
             554 Q     15.570000000000   19.710000000000   11.320000000000
             555 Q     15.160000000000   20.140000000000   11.930000000000
             556 Q     16.550000000000    7.820000000000   19.610000000000
             557 Q     15.360000000000    8.650000000000   20.050000000000
             558 Q     15.740000000000    7.970000000000   19.740000000000
             559 Q     10.610000000000    6.110000000000   17.010000000000
             560 Q      9.850000000000    4.720000000000   17.230000000000
             561 Q     10.240000000000    5.480000000000   17.470000000000
             562 Q      7.580000000000    3.840000000000   10.260000000000
             563 Q      8.680000000000    2.970000000000   10.630000000000
             564 Q      8.000000000000    3.410000000000   10.810000000000
             565 Q      6.310000000000   17.960000000000    9.330000000000
             566 Q      7.540000000000   17.630000000000    8.490000000000
             567 Q      7.050000000000   17.640000000000    9.180000000000
             568 Q     11.610000000000   20.680000000000    8.070000000000
             569 Q     11.030000000000   19.420000000000    8.900000000000
             570 Q     11.630000000000   19.970000000000    8.570000000000
             571 Q      6.930000000000    5.120000000000    8.270000000000
             572 Q      5.970000000000    6.290000000000    8.460000000000
             573 Q      6.730000000000    5.910000000000    8.430000000000
             574 Q      5.680000000000   18.380000000000    5.480000000000
             575 Q      6.860000000000   19.010000000000    4.610000000000
             576 Q      6.430000000000   18.760000000000    5.330000000000
             577 Q     18.860000000000   13.640000000000   10.320000000000
             578 Q     18.140000000000   12.640000000000    9.360000000000
             579 Q     18.330000000000   13.400000000000    9.690000000000
             580 Q     18.930000000000    5.950000000000   16.140000000000
             581 Q     17.650000000000    6.720000000000   15.520000000000
             582 Q     18.480000000000    6.500000000000   15.620000000000
             583 Q      6.890000000000    4.810000000000    5.520000000000
             584 Q      6.730000000000    3.630000000000    6.460000000000
             585 Q      6.990000000000    4.010000000000    5.770000000000
             586 Q      7.340000000000   21.660000000000   13.920000000000
             587 Q      8.440000000000   20.820000000000   13.520000000000
             588 Q      8.120000000000   21.500000000000   13.790000000000
             589 Q      6.040000000000    7.640000000000   16.850000000000
             590 Q      6.820000000000    6.420000000000   17.430000000000
             591 Q      6.650000000000    7.250000000000   17.310000000000
