%chk=000050164.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050164

0 1
 O    2.310600     -0.3162000       1.471400    
 O  -0.9152000      0.3164000      -2.973800    
 N  -9.8700002E-02 -0.2580000     -0.8364000    
 C    2.205300      -1.330800     -0.7427000    
 C   0.5594000      -1.922500       1.014700    
 C    2.026400      -1.526900      0.7786000    
 C    1.332500     -0.1469000      -1.281500    
 C  -0.4267000     -0.8187000      0.5144000    
 C    1.891700      -2.646200      -1.507900    
 C   0.2435000      -3.272700      0.3217000    
 C   0.5384000      -3.268600      -1.175600    
 C    1.913800       1.276500      -1.156400    
 C  -0.7973000      0.1945000       1.593600    
 C    2.966700      -2.539600       1.302700    
 C   -1.105800      3.8999999E-03  -1.798600    
 C    1.056400       2.362800      -1.005500    
 C   -1.901300     -3.8400002E-02   2.406200    
 C    3.292200       1.466700      -1.194500    
 C  -2.7700000E-02   1.341000       1.755100    
 C   -2.513400     -8.0200002E-02  -1.388700    
 C    3.730600      -3.362000       1.728200    
 C    1.581900       3.650000     -0.8921000    
 C   -2.240100      0.8875000       3.392900    
 C    3.817500       2.753900      -1.081100    
 C  -0.3665000       2.266800       2.741900    
 C    2.962300       3.845500     -0.9299000    
 C   -1.472800       2.040000       3.560700    
 C   -3.159100       1.050200     -0.8953000    
 C   -3.194400      -1.289700      -1.496300    
 C   -4.496300      0.9704000     -0.5063000    
 C   -4.531600      -1.369300      -1.107400    
 C   -5.182400     -0.2392000     -0.6123000    
 H    3.261700      -1.137100     -0.9484000    
 H   0.3931000      -2.070400       2.091700    
 H    1.313000     -0.2766000      -2.373600    
 H   -1.362200      -1.365400      0.3638000    
 H    1.957700      -2.476800      -2.589700    
 H    2.673200      -3.382800      -1.281100    
 H   0.8254000      -4.073000      0.7952000    
 H  -0.8072000      -3.543800      0.4832000    
 H  -0.2532000      -2.736800      -1.711300    
 H   0.5071000      -4.296900      -1.555500    
 H    3.218800     -4.5499999E-02   1.252800    
 H  -2.2600001E-02   2.267800     -0.9963000    
 H   -2.506900     -0.9329000       2.289800    
 H    3.996000      0.6573000      -1.343400    
 H   0.8792000       1.522100       1.212900    
 H    4.408000      -4.092100       2.105100    
 H   0.9161000       4.500800     -0.7799000    
 H   -3.100600      0.7102000       4.031300    
 H    4.892100       2.907800      -1.118200    
 H   0.2421000       3.154800       2.886000    
 H    3.371300       4.848000     -0.8445000    
 H   -1.733900       2.758600       4.332100    
 H   -2.634100       1.997500     -0.8085000    
 H   -2.698600      -2.175800      -1.882800    
 H   -5.002500       1.850100     -0.1199000    
 H   -5.065900      -2.311200      -1.190000    
 H   -6.223300     -0.3014000     -0.3090000    


%chk=000050164-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050164

0 1
O 2.174239 -0.316923 1.603382
O -0.785116 0.067946 -2.952199
N -0.122565 -0.220176 -0.729023
C 2.161079 -1.342370 -0.706803
C 0.481402 -1.936714 1.055552
C 1.969219 -1.560535 0.826997
C 1.300581 -0.160910 -1.232723
C -0.467562 -0.762158 0.624502
C 1.870965 -2.674324 -1.460468
C 0.152969 -3.272566 0.335068
C 0.458967 -3.243724 -1.183626
C 1.928078 1.248218 -1.135945
C -0.666743 0.279433 1.740954
C 2.898003 -2.590423 1.341742
C -1.104968 -0.100333 -1.726119
C 1.144484 2.365902 -1.532278
C -1.377007 -0.131943 2.898018
C 3.284752 1.485398 -0.796756
C -0.234172 1.621611 1.657183
C -2.570309 -0.193248 -1.372881
C 3.718490 -3.387721 1.800017
C 1.683274 3.669497 -1.554164
C -1.632330 0.768453 3.954944
C 3.829667 2.790405 -0.815427
C -0.491657 2.528202 2.709398
C 3.030341 3.892718 -1.186713
C -1.188832 2.108146 3.865125
C -3.182900 0.586495 -0.358256
C -3.381909 -1.008415 -2.206301
C -4.582067 0.532972 -0.170161
C -4.775441 -1.076346 -2.001941
C -5.380942 -0.304482 -0.981448
H 3.222843 -1.104026 -0.901514
H 0.337640 -2.077224 2.141979
H 1.176589 -0.326044 -2.324429
H -1.454700 -1.247578 0.495465
H 2.012651 -2.511576 -2.545777
H 2.629382 -3.417509 -1.146068
H 0.750694 -4.074795 0.809999
H -0.911280 -3.526143 0.506132
H -0.300362 -2.647592 -1.720066
H 0.391629 -4.270049 -1.591940
H 3.100377 0.009339 1.466072
H 0.109503 2.209467 -1.849489
H -1.745793 -1.163970 2.972346
H 3.952780 0.656334 -0.537557
H 0.319243 1.957542 0.777896
H 4.421921 -4.091398 2.205331
H 1.052721 4.509077 -1.867870
H -2.182059 0.428680 4.840240
H 4.880575 2.941307 -0.542770
H -0.141226 3.563559 2.626570
H 3.451486 4.903967 -1.202146
H -1.386405 2.812729 4.680893
H -2.577825 1.244374 0.272609
H -2.909088 -1.566846 -3.020867
H -5.044689 1.148163 0.609295
H -5.389638 -1.717894 -2.643428
H -6.465253 -0.347280 -0.828958


