%chk=000097865.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097865

0 1
 O  -0.8395000       1.760000       1.505000    
 O   -3.482200       1.190800       1.256300    
 O   -4.390000     -0.3644000     -0.8399000    
 O    5.172500       1.867400     -4.8000000E-02
 O    2.710900      -2.717600       1.723500    
 N   0.9650000      -2.117200      0.3061000    
 C    1.765300      -1.577200     -0.7747000    
 C    1.112600      -1.822100      -2.149700    
 C   0.1376000     -0.7515000      -2.655300    
 C    2.118100     -0.1216000     -0.5247000    
 C  -0.8052000     -0.2303000      -1.599300    
 C  -0.3218000      0.5669000     -0.5341000    
 C    1.120900      0.8807000     -0.3985000    
 C   -1.247800       1.037800      0.4162000    
 C    3.475000      0.2288000     -0.4042000    
 C   -2.173100     -0.5337000      -1.686400    
 C    1.534300       2.205400     -0.1549000    
 C   -2.606100      0.7314000      0.3170000    
 C   -3.068000     -5.4200001E-02 -0.7329000    
 C    3.854500       1.547100     -0.1614000    
 C    2.885200       2.534500     -3.6800001E-02
 C    1.513000      -2.641200       1.463200    
 C   0.4587000      -3.108900       2.430300    
 C  -0.5143000       1.023100       2.678500    
 C   -4.544900       2.022200      0.7971000    
 C   -4.830700      -1.556300     -0.1922000    
 H    2.692000      -2.167000     -0.7715000    
 H   0.6027000      -2.794800      -2.136500    
 H    1.906900      -1.909500      -2.903500    
 H  -0.4264000      -1.164500      -3.501400    
 H   0.6949000      9.5600002E-02  -3.077300    
 H  -4.6799999E-02  -2.079700      0.2240000    
 H    4.240300     -0.5387000     -0.4994000    
 H   -2.543200      -1.147200      -2.505000    
 H   0.8067000       3.011200     -7.9999998E-02
 H    3.172000       3.566500      0.1458000    
 H  -0.2237000      -3.804800       1.933700    
 H   0.9315000      -3.620900       3.272800    
 H  -0.1053000      -2.250000       2.803600    
 H    5.704500       1.061100     -0.1618000    
 H   0.3417000      0.3657000       2.498700    
 H   -1.370900      0.4345000       3.021600    
 H  -0.2450000       1.733900       3.464600    
 H   -4.288700       2.552200     -0.1270000    
 H   -4.747000       2.768100       1.571600    
 H   -5.452200       1.428300      0.6566000    
 H   -4.329400      -2.431200     -0.6183000    
 H   -5.907300      -1.656100     -0.3544000    
 H   -4.642400      -1.502900      0.8847000    


%chk=000097865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097865

0 1
O -1.027995 1.750881 1.357399
O -3.702197 0.906257 1.105540
O -4.415426 -0.844944 -1.115053
O 5.069971 2.218441 -0.108167
O 2.862492 -3.115946 1.424453
N 1.052801 -2.149539 0.318894
C 1.876602 -1.577877 -0.771577
C 1.277104 -1.911547 -2.172101
C 0.263171 -0.864489 -2.711355
C 2.128867 -0.076767 -0.569727
C -0.768390 -0.421718 -1.685908
C -0.367397 0.435336 -0.609454
C 1.057612 0.865055 -0.470197
C -1.368456 0.860104 0.309536
C 3.465635 0.364860 -0.448360
C -2.108424 -0.852072 -1.785859
C 1.379394 2.232042 -0.247314
C -2.727198 0.454701 0.183446
C -3.096052 -0.432601 -0.863984
C 3.757566 1.731977 -0.236997
C 2.710028 2.673802 -0.137607
C 1.617336 -2.870023 1.359368
C 0.638272 -3.359679 2.424408
C -0.980812 1.117106 2.694583
C -4.025227 2.350435 0.984931
C -5.179767 -1.422234 0.013230
H 2.843377 -2.103554 -0.675098
H 0.805620 -2.910844 -2.106940
H 2.106985 -1.992264 -2.900378
H -0.242220 -1.284340 -3.600039
H 0.831900 0.022916 -3.049576
H 0.052345 -1.944058 0.324657
H 4.278034 -0.372953 -0.493180
H -2.422837 -1.508990 -2.603294
H 0.566271 2.956809 -0.157554
H 2.952025 3.727199 0.029207
H -0.407110 -3.059428 2.234090
H 0.689332 -4.460692 2.482053
H 0.951987 -2.967494 3.407329
H 5.726359 1.480030 -0.163408
H -0.191096 0.341967 2.718778
H -1.963811 0.679787 2.948259
H -0.729088 1.926220 3.396843
H -3.122101 2.958908 1.165682
H -4.783555 2.546379 1.758525
H -4.440873 2.562995 -0.017448
H -4.705181 -2.365078 0.348375
H -6.177666 -1.634513 -0.399469
H -5.243306 -0.710864 0.852258


