%chk=000147618.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147618

0 1
 O   -1.773500      0.4154000     -7.4800000E-02
 O   -1.912900      -1.728000      0.8357000    
 O   -5.381900       1.493500       1.565000    
 O   -4.269000       3.029700     -0.6372000    
 O   -4.681800      -1.350100       1.254700    
 O   -1.819400       3.560900      -1.633800    
 O  -0.2024000       2.370000     -0.5553000    
 O  -0.3752000      -3.676100      -1.708100    
 N  -0.8502000      -2.148700     -4.4999998E-03
 C   -4.523600      0.9548000      0.5585000    
 C   -3.555900       2.055700      0.1232000    
 C   -3.775900     -0.2553000       1.119300    
 C   -2.439100       1.482600     -0.7402000    
 C   -2.640700     -0.6845000      0.1893000    
 C   -1.353500       2.488500     -0.9481000    
 C   0.4455000      -1.551200      5.4699998E-02
 C   -1.148500      -3.178200     -0.8886000    
 C    1.210500      -1.508500      -1.091700    
 C   0.8867000      -1.037900       1.255900    
 C    2.947200     -0.3984000      0.1683000    
 C    2.476300     -0.9254000      -1.034000    
 C    2.152600     -0.4547000       1.313400    
 C   -2.567100      -3.704200     -0.8284000    
 C    4.260000      0.2077000      0.2277000    
 C    5.374500     -0.5718000      0.5365000    
 C    4.410600       1.571400     -2.4400000E-02
 C    6.640000      1.2100000E-02  0.5934000    
 C    5.676100       2.155300      3.2499999E-02
 C    6.790700       1.375600      0.3414000    
 H   -5.173300      0.6483000     -0.2707000    
 H   -3.150800       2.566100       1.005700    
 H   -3.386200     -3.4100000E-02   2.120600    
 H   -2.784700       1.145600      -1.725400    
 H   -3.053700      -1.053000     -0.7563000    
 H   -5.834000       2.263800       1.180100    
 H   -4.633800       2.589900      -1.424000    
 H   -5.410100      -1.055000       1.827700    
 H   -1.121200       4.234400      -1.779200    
 H   0.8666000      -1.837200      -2.065000    
 H   0.2802000      -1.078800       2.155600    
 H    3.077300     -0.8753000      -1.939200    
 H    2.504700     -4.8999999E-02   2.258900    
 H   -2.951900      -3.749700      0.1928000    
 H   -2.576500      -4.727900      -1.217900    
 H   -3.220800      -3.097800      -1.458500    
 H    5.274800      -1.636300      0.7355000    
 H    3.552100       2.193500     -0.2666000    
 H    7.508000     -0.5948000      0.8339000    
 H    5.793700       3.217000     -0.1637000    
 H    7.776000       1.830300      0.3857000    


%chk=000147618-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147618

0 1
O -1.846887 0.775522 0.461669
O -1.893786 -1.517126 0.887674
O -6.004289 0.871234 0.074202
O -4.501023 3.164917 -0.773436
O -4.653185 -1.598564 -0.140233
O -2.085902 4.337655 -0.231247
O -0.434668 3.103425 0.850974
O -0.371132 -4.408945 -0.622421
N -0.872279 -2.278900 0.157717
C -4.593622 0.839487 -0.313764
C -3.871703 2.141916 0.056760
C -4.001184 -0.399678 0.378877
C -2.352607 1.947559 -0.249409
C -2.500351 -0.489128 0.057369
C -1.490124 3.124574 0.205740
C 0.440370 -1.685827 0.106318
C -1.210037 -3.639197 -0.073017
C 1.400182 -2.143013 -0.837333
C 0.779942 -0.632854 0.992920
C 3.037414 -0.489063 0.002339
C 2.676282 -1.549126 -0.872607
C 2.055928 -0.046760 0.930630
C -2.588834 -4.082626 0.373707
C 4.386845 0.139860 -0.054719
C 5.535729 -0.617485 -0.418056
C 4.566069 1.517514 0.255322
C 6.813744 -0.021566 -0.470854
C 5.843921 2.113949 0.206222
C 6.976100 1.348306 -0.158068
H -4.507203 0.712186 -1.416383
H -3.999803 2.358043 1.138267
H -4.133227 -0.311630 1.476840
H -2.236772 1.841898 -1.353285
H -2.318229 -0.705438 -1.015665
H -6.416469 1.672251 -0.340252
H -3.977230 4.006035 -0.679481
H -5.632738 -1.444451 -0.084032
H -1.516425 5.107821 0.038646
H 1.150203 -2.959297 -1.515209
H 0.044698 -0.265635 1.710251
H 3.392496 -1.898754 -1.624603
H 2.297435 0.752686 1.638981
H -2.671391 -4.026452 1.474386
H -2.721575 -5.125387 0.048696
H -3.392163 -3.444054 -0.031654
H 5.431378 -1.687820 -0.629149
H 3.694027 2.131112 0.508885
H 7.684390 -0.628237 -0.744957
H 5.955632 3.178213 0.443433
H 7.968555 1.811050 -0.196591


