%chk=000099641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099641

0 1
 O   -5.478100      -1.545200      0.1691000    
 O   -6.159600      0.7528000     -6.4099997E-02
 O    5.054700       1.862500      0.1173000    
 O    5.731700     -0.8031000     -0.2596000    
 N  -0.2150000      -1.656500      0.2176000    
 C  -0.6876000     -0.3382000      6.2000002E-03
 C   0.2677000      0.7058000     -0.1749000    
 C   0.9878000      -2.013000     -0.5398000    
 C    1.711900      0.3656000     -0.1819000    
 C    2.077900     -0.9885000     -0.3465000    
 C   -2.088800     -5.6100000E-02 -1.0700000E-02
 C   -2.515700       1.295700     -0.1725000    
 C  -0.1995000       2.016000     -0.3435000    
 C   -1.563600       2.305800     -0.3310000    
 C   -3.086400      -1.057200      9.4899997E-02
 C    2.741900       1.306900     -1.9900000E-02
 C    3.425300      -1.371500     -0.3844000    
 C  -0.3053000      -2.137000       1.595300    
 C   -3.883600       1.623600     -0.1888000    
 C   -4.418900     -0.6963000      7.1500003E-02
 C   -4.806900      0.6097000     -6.2500000E-02
 C    4.084800      0.9182000     -4.3099999E-02
 C    4.426100     -0.4177000     -0.2293000    
 C   -6.580000     -0.6186000      8.5000001E-02
 C    5.485300       2.128000       1.450500    
 C    5.993800      -2.191700     -0.4548000    
 H   0.7443000      -2.072800      -1.608400    
 H    1.333700      -3.008300     -0.2354000    
 H   0.4852000       2.845800     -0.4978000    
 H   -1.872400       3.341400     -0.4637000    
 H   -2.828700      -2.108400      0.1868000    
 H    2.518300       2.359300      0.1364000    
 H    3.624200      -2.427000     -0.5365000    
 H   0.4334000      -1.636200       2.231300    
 H  -0.1098000      -3.214200       1.631000    
 H   -1.295300      -1.975600       2.033000    
 H   -4.217100       2.650900     -0.3065000    
 H   -7.181700     -0.7046000      0.9970000    
 H   -7.202700     -0.8906000     -0.7750000    
 H    5.905300       1.226200       1.907100    
 H    4.653000       2.502600       2.054800    
 H    6.263300       2.895500       1.412900    
 H    5.637200      -2.536400      -1.431400    
 H    5.602000      -2.796400      0.3702000    
 H    7.081600      -2.317500     -0.4517000    


%chk=000099641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099641

0 1
O -5.600969 -1.568473 0.236511
O -6.312387 0.718229 0.063064
O 4.931945 2.032281 0.252009
O 5.770714 -0.672046 0.018589
N -0.320975 -1.686757 0.081223
C -0.757052 -0.328093 -0.112572
C 0.201308 0.699164 -0.323836
C 0.925005 -1.999374 -0.662380
C 1.643112 0.364902 -0.245034
C 2.035201 -0.998367 -0.368077
C -2.167075 -0.031951 -0.084998
C -2.600302 1.346609 -0.232013
C -0.259498 2.041805 -0.523350
C -1.614000 2.360570 -0.462334
C -3.143996 -1.082377 0.063432
C 2.652910 1.332160 -0.001676
C 3.390217 -1.368446 -0.254120
C -0.348914 -2.177429 1.484428
C -4.002899 1.676207 -0.184031
C -4.474766 -0.716877 0.107291
C -4.899644 0.640806 -0.003626
C 4.011463 0.978597 0.097005
C 4.393763 -0.392627 -0.044328
C -6.789656 -0.679268 0.226046
C 5.889317 1.938790 1.373387
C 6.189429 -2.057367 -0.205048
H 0.682589 -1.979345 -1.744709
H 1.232427 -3.030836 -0.412721
H 0.470197 2.834308 -0.720508
H -1.943429 3.396418 -0.601901
H -2.821740 -2.124853 0.097258
H 2.410712 2.389468 0.140046
H 3.661899 -2.424584 -0.358196
H 0.463448 -1.742600 2.108290
H -0.251833 -3.278271 1.493998
H -1.312538 -1.910536 1.947852
H -4.335379 2.711745 -0.295136
H -7.314537 -0.768438 1.193080
H -7.427973 -0.942659 -0.634817
H 6.551897 1.065531 1.256996
H 5.347794 1.879004 2.337908
H 6.469260 2.873339 1.329021
H 5.872581 -2.413828 -1.204183
H 5.788271 -2.732987 0.575561
H 7.287805 -2.037844 -0.149201


