%chk=000086983.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086983

1 1
 O    1.109400      -2.351500      0.7974000    
 O   -3.544500      0.6207000      0.7126000    
 O   0.6164000       2.694800      0.2483000    
 N    1.235800      0.4381000      0.4723000    
 N   -3.661900      -2.149600       1.033400    
 N   -4.619500      -2.661000       1.143500    
 C    2.721700      -3.554000     -0.5018000    
 C   -5.311900       1.517600     -0.6386000    
 C    1.243000      -3.351700     -0.2030000    
 C  -3.9000001E-02  -1.603300      0.7744000    
 C   -3.805900       1.377900     -0.4674000    
 C   1.1100000E-02 -0.2185000      0.6144000    
 C    2.939000      -4.608100      -1.583600    
 C   -2.399900     -0.1178000      0.7336000    
 C   -5.665200       2.306700      -1.896100    
 C   -1.169300      0.5244000      0.5940000    
 C   -1.269600      -2.245200      0.9142000    
 C   -2.449900      -1.502400      0.8938000    
 C    4.414400      -4.776000      -1.909500    
 C   -7.170300       2.407000      -2.086300    
 C    1.463000       1.809300      0.3032000    
 C    2.888200       2.203700      0.1510000    
 C    3.303100       3.479800      0.5319000    
 C    3.810700       1.297500     -0.3724000    
 C    4.640500       3.849900      0.3893000    
 C    5.148000       1.667700     -0.5147000    
 C    5.562800       2.943900     -0.1339000    
 H    3.244700      -3.840100      0.4193000    
 H    3.161500      -2.597200     -0.8109000    
 H   -5.736600       2.004000      0.2483000    
 H   -5.764600      0.5187000     -0.6780000    
 H   0.7203000      -3.056600      -1.122200    
 H   0.8020000      -4.284600      0.1664000    
 H   -3.379400      0.8821000      -1.349100    
 H   -3.345100       2.366700     -0.3628000    
 H    2.401800      -4.323000      -2.495700    
 H    2.530100      -5.570100      -1.253400    
 H   -5.240900       3.315500      -1.833900    
 H   -5.225200       1.823200      -2.776000    
 H   -1.201200       1.598500      0.4884000    
 H   -1.315700      -3.323200       1.048100    
 H    2.039800     -0.1801000      0.5379000    
 H    4.977900      -5.090800      -1.025500    
 H    4.547100      -5.536300      -2.685500    
 H    4.844600      -3.838200      -2.275600    
 H   -7.620200       1.414000      -2.186600    
 H   -7.400700       2.977200      -2.991700    
 H   -7.640000       2.913300      -1.237000    
 H    2.601300       4.198500      0.9466000    
 H    3.527000      0.3073000     -0.7160000    
 H    4.964000       4.843200      0.6865000    
 H    5.865200      0.9655000     -0.9299000    
 H    6.603700       3.232600     -0.2466000    


%chk=000086983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086983

1 1
O 1.345714 -2.182182 -0.402558
O -3.815117 -0.006991 -0.569871
O 0.284072 2.601865 -0.269019
N 1.099410 0.407974 -0.359095
N -3.518236 -2.650000 -0.615771
N -4.518645 -3.251519 -0.670874
C 3.129828 -3.850536 -0.343329
C -5.577177 1.687479 -0.602914
C 1.617271 -3.652304 -0.407548
C 0.032429 -1.743076 -0.448267
C -4.067317 1.480734 -0.542335
C -0.092049 -0.287436 -0.422431
C 3.497854 -5.355861 -0.338776
C -2.530644 -0.467996 -0.527515
C -5.930131 3.196445 -0.567577
C -1.370946 0.322875 -0.460696
C -1.098676 -2.545366 -0.512592
C -2.387893 -1.909593 -0.553361
C 5.023739 -5.579680 -0.276585
C -7.453734 3.434448 -0.633342
C 1.281241 1.824847 -0.311515
C 2.693911 2.297536 -0.297955
C 2.906866 3.664028 0.033181
C 3.811384 1.472357 -0.611946
C 4.210967 4.192125 0.067932
C 5.115151 2.006993 -0.580633
C 5.318558 3.364416 -0.235657
H 3.525490 -3.368794 0.570980
H 3.603254 -3.355411 -1.212561
H -6.055743 1.172652 0.251290
H -5.976264 1.232566 -1.528975
H 1.190684 -4.077891 -1.338025
H 1.111727 -4.097908 0.472603
H -3.551717 1.925636 -1.414667
H -3.630331 1.878014 0.393654
H 3.091331 -5.840800 -1.249056
H 3.017254 -5.852938 0.527754
H -5.525401 3.651541 0.358670
H -5.439013 3.714036 -1.415951
H -1.417395 1.412396 -0.429478
H -1.035531 -3.634952 -0.533857
H 1.933474 -0.190027 -0.318542
H 5.456587 -5.135037 0.638380
H 5.264965 -6.656902 -0.272364
H 5.530784 -5.125555 -1.147791
H -7.883357 3.023257 -1.565264
H -7.686116 4.513281 -0.603776
H -7.970649 2.955466 0.218443
H 2.037022 4.288743 0.259108
H 3.691193 0.426143 -0.920567
H 4.367407 5.243268 0.329182
H 5.970849 1.372647 -0.832299
H 6.333267 3.774988 -0.210741


