%chk=000064657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064657

0 1
 O   0.7068000      0.7057000     -6.6000000E-03
 O  -1.7300000E-02  -1.330700     -0.8138000    
 O   -6.700300      0.4936000     -0.1013000    
 N    4.568400      0.1124000       1.032100    
 N   -3.987300     -0.2606000      0.3138000    
 C    4.022800      -1.073000      0.3443000    
 C    4.449400       1.166500      6.8000001E-03
 C    4.610100     -0.9998000      -1.069500    
 C    4.893500      0.4878000      -1.293700    
 C    2.490700     -0.9038000      0.3397000    
 C    2.961100       1.566000     -3.2499999E-02
 C    2.043500      0.3826000     -0.3704000    
 C    5.942600     -8.0499999E-02   1.488200    
 C  -0.2356000     -0.2484000     -0.2869000    
 C   -1.593100      0.2475000      0.1575000    
 C   -2.695600     -0.7609000     -0.1521000    
 C   -4.341100      0.9894000     -0.3729000    
 C   -5.040900      -1.264100      0.1073000    
 C   -5.697000       1.485400      0.1211000    
 C   -6.380800     -0.7151000      0.5889000    
 H    4.277500      -2.011900      0.8488000    
 H    5.050700       2.053400      0.2359000    
 H    3.935600      -1.405600      -1.830600    
 H    5.549000      -1.562800      -1.127800    
 H    5.967700      0.6335000      -1.458500    
 H    4.370400      0.8749000      -2.174100    
 H    2.074300      -1.794400     -0.1402000    
 H    2.115100     -0.9114000       1.372100    
 H    2.668500       1.995100      0.9358000    
 H    2.802500       2.365400     -0.7672000    
 H    2.069600      0.2303000      -1.457500    
 H    5.980200     -0.8787000       2.237600    
 H    6.305400      0.8287000       1.980100    
 H    6.645000     -0.3350000      0.6879000    
 H   -1.549100      0.4455000       1.234600    
 H   -1.738500       1.188400     -0.3812000    
 H   -2.716000     -0.9814000      -1.227800    
 H   -2.460600      -1.703200      0.3597000    
 H   -4.379700      0.8344000      -1.458900    
 H   -3.633900       1.795500     -0.1621000    
 H   -4.810700      -2.178600      0.6657000    
 H   -5.114900      -1.524300     -0.9567000    
 H   -5.670200       1.746300       1.186200    
 H   -5.990300       2.383500     -0.4321000    
 H   -7.176300      -1.437600      0.3801000    
 H   -6.377000     -0.5293000       1.670000    


%chk=000064657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064657

0 1
O 0.724662 0.474824 0.186534
O -0.075529 -1.495788 -0.779142
O -6.916739 0.570574 0.127901
N 4.821069 0.466190 0.933631
N -4.115117 -0.219256 0.028803
C 4.262598 -0.916972 0.776677
C 4.445168 1.084426 -0.379918
C 4.672370 -1.360653 -0.678303
C 4.792242 -0.007776 -1.460784
C 2.723187 -0.817694 0.941684
C 2.925306 1.392333 -0.331966
C 2.134378 0.084977 -0.162389
C 6.275960 0.495302 1.213115
C -0.285541 -0.419950 -0.168111
C -1.639730 0.089039 0.299030
C -2.786126 -0.430113 -0.592100
C -4.514619 1.211874 0.089574
C -5.171891 -1.011268 -0.656567
C -5.868745 1.351850 0.804424
C -6.513416 -0.845113 0.074160
H 4.675951 -1.582263 1.554351
H 5.007127 2.022396 -0.530570
H 3.926173 -2.042325 -1.123456
H 5.637965 -1.896409 -0.662907
H 5.816625 0.139089 -1.846140
H 4.107699 0.040944 -2.326528
H 2.258934 -1.819687 0.896440
H 2.509107 -0.370090 1.928971
H 2.729020 2.053164 0.530785
H 2.602424 1.915144 -1.251564
H 2.080071 -0.477372 -1.113191
H 6.466626 0.003197 2.183427
H 6.606192 1.545900 1.298319
H 6.912237 -0.004145 0.443174
H -1.810679 -0.281369 1.329637
H -1.600169 1.189650 0.355159
H -2.717344 0.043119 -1.604931
H -2.640070 -1.515660 -0.736601
H -4.591157 1.654478 -0.936802
H -3.754329 1.784397 0.651791
H -4.878369 -2.078125 -0.650905
H -5.297472 -0.693185 -1.722671
H -5.766993 1.008978 1.856902
H -6.221652 2.396297 0.786209
H -7.325812 -1.363497 -0.461535
H -6.427393 -1.248731 1.106183


