%chk=000163800.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163800

0 1
 O   -1.934600      -3.651100      0.1806000    
 O   -3.327000      0.7397000      -1.241300    
 O   -1.962700      -1.903700      -1.984900    
 O    2.330700      -1.465800       1.269100    
 O    4.574900     -0.5743000      2.7899999E-02
 N   -2.054000       2.263300       1.573800    
 C  -0.3247000     -0.2700000      0.8619000    
 C   -1.382600      0.4918000      0.1387000    
 C   -1.117800       1.925900      0.5235000    
 C  -0.4397000      -1.796500      0.6206000    
 C  -0.6503000      0.1266000       2.379400    
 C    1.018400      0.3050000      0.2712000    
 C  -0.2444000       2.457300     -0.5953000    
 C   -1.891900      -2.250100      0.4291000    
 C   -1.911800       1.131300       2.581800    
 C   -2.369000     -2.4700001E-02 -0.6132000    
 C    1.029400       1.545000     -0.4991000    
 C   -2.548800      -1.507500     -0.7460000    
 C    2.223200     -0.3843000      0.4480000    
 C    2.213800       1.985300      -1.095200    
 C    3.395000      8.8299997E-02 -0.1482000    
 C    3.388000       1.253300     -0.9211000    
 C   -2.905900       1.105200      -2.541300    
 C    4.891600      -1.590300     -0.9197000    
 H  -0.2966000       2.064300       1.247700    
 H   1.5000000E-03  -2.361900       1.451000    
 H   0.1284000      -2.102600     -0.2693000    
 H   0.2350000      0.5928000       2.832400    
 H  -0.8583000     -0.7732000       2.971400    
 H   4.3400001E-02   3.496900     -0.3968000    
 H  -0.6870000       2.401500      -1.591400    
 H   -2.453800      -2.063000       1.352700    
 H   -2.828700      0.5289000       2.540800    
 H   -1.857900       1.567200       3.585100    
 H   -3.613100      -1.765900     -0.7909000    
 H   -3.010400       2.289700       1.222900    
 H    2.234800       2.906300      -1.670800    
 H   -2.868000      -3.900700      7.0799999E-02
 H   -2.030200      -2.872100      -2.041300    
 H    4.308700       1.609800      -1.376800    
 H    3.260000      -1.750000       1.304600    
 H   -2.986000       2.191900      -2.641800    
 H   -3.584400      0.6473000      -3.268000    
 H   -1.881700      0.8037000      -2.792000    
 H    5.010600      -1.157600      -1.918100    
 H    4.116100      -2.362700     -0.9364000    
 H    5.837800      -2.051900     -0.6242000    


%chk=000163800-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163800

0 1
O -2.228559 -3.565773 0.073239
O -3.271427 1.141716 -1.125982
O -2.284686 -1.852913 -2.059313
O 2.176754 -1.743931 1.250275
O 4.447797 -1.224949 0.035953
N -1.839728 2.417368 1.540274
C -0.350578 -0.337332 0.833094
C -1.291198 0.549387 0.085144
C -0.852573 1.930491 0.537226
C -0.601164 -1.845677 0.570515
C -0.687340 0.125992 2.358199
C 1.034041 0.166245 0.244071
C 0.010613 2.460069 -0.618485
C -2.101458 -2.118473 0.399097
C -1.872371 1.197119 2.508193
C -2.364567 0.160431 -0.636620
C 1.148389 1.372491 -0.576487
C -2.733508 -1.301423 -0.764630
C 2.195014 -0.616454 0.411321
C 2.368877 1.655853 -1.221277
C 3.415802 -0.300214 -0.253454
C 3.506562 0.821738 -1.089040
C -3.691106 0.958111 -2.530205
C 5.740023 -1.020661 -0.617549
H -0.024740 1.778406 1.244653
H -0.195250 -2.470167 1.380514
H -0.094242 -2.148923 -0.363428
H 0.231369 0.498003 2.846559
H -1.005650 -0.765733 2.933184
H 0.460870 3.452121 -0.423381
H -0.508035 2.488973 -1.593103
H -2.656729 -1.892461 1.333281
H -2.830267 0.654327 2.372125
H -1.843837 1.577107 3.546543
H -3.843691 -1.398859 -0.698398
H -2.781017 2.534720 1.125677
H 2.445896 2.566016 -1.826784
H -3.157267 -3.860739 0.257045
H -2.167921 -2.831905 -1.896962
H 4.436048 1.072584 -1.608620
H 3.079850 -2.160929 1.212257
H -4.447561 1.736432 -2.716080
H -4.122609 -0.045773 -2.695660
H -2.828430 1.084893 -3.210700
H 6.182118 -0.049474 -0.323446
H 5.636658 -1.065887 -1.718626
H 6.380831 -1.843541 -0.268308


