%chk=000076177.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076177

0 1
 O    2.103600     -0.2304000      0.3281000    
 O    3.592500       1.298600       2.222800    
 O    3.110400      0.3872000      -2.269800    
 O   -1.898900     -0.8993000      9.3500003E-02
 O    3.615500      -1.961700      0.4442000    
 O  -0.5355000      -2.009200      -1.384400    
 N    3.173600      0.5967000      4.5499999E-02
 N   4.0899999E-02  -1.763200      0.8508000    
 C    4.937100       2.034700      0.3495000    
 C    4.776900       1.732300      -1.141900    
 C    3.823400       1.279900       1.023700    
 C    3.581400      0.8227000      -1.230600    
 C    1.298200      -2.452600      0.8243000    
 C    2.464200      -1.543200      0.5150000    
 C   -4.000800      0.1148000     -0.4152000    
 C   -2.834800     -0.6551000     -0.9624000    
 C   -5.098500     -0.5690000      9.5500000E-02
 C   -3.972800       1.504900     -0.4234000    
 C  -0.7761000      -1.596100     -0.2547000    
 C   -6.182200      0.1466000      0.6044000    
 C   -5.056700       2.220400      8.5600004E-02
 C   -6.161300       1.541200      0.5995000    
 H    4.834600       3.105000      0.5507000    
 H    5.902800       1.683500      0.7247000    
 H    5.659500       1.224400      -1.541500    
 H    4.591100       2.645800      -1.714300    
 H    1.452000      -2.891000       1.814200    
 H    1.262000      -3.238500      6.4000003E-02
 H   -2.347700     -8.6499996E-02  -1.764400    
 H   -3.174800      -1.609500      -1.383700    
 H  -0.2654000      -1.358800       1.730600    
 H   -5.124300      -1.655100      0.1064000    
 H   -3.116500       2.044000     -0.8192000    
 H   -7.042200     -0.3821000       1.005200    
 H   -5.040200       3.306400      8.2500003E-02
 H   -7.005000       2.098300      0.9961000    


%chk=000076177-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076177

0 1
O 1.711206 -0.244525 0.190242
O 3.499798 0.244384 2.397797
O 2.134809 1.804711 -1.836141
O -2.074884 -2.121791 0.729946
O 3.492714 -1.409171 -0.843947
O -1.322767 -2.419764 -1.491648
N 2.612908 0.852453 0.285789
N 0.142455 -2.402870 0.341078
C 4.231522 2.310257 1.163991
C 3.778626 2.824425 -0.231061
C 3.450380 1.018536 1.422037
C 2.747321 1.817154 -0.753040
C 1.339163 -2.565778 -0.462644
C 2.330605 -1.406451 -0.429045
C -3.802048 -0.474953 0.000724
C -3.481406 -1.936517 0.222281
C -4.454157 0.277527 1.010063
C -3.451515 0.159959 -1.219654
C -1.101697 -2.315576 -0.255912
C -4.750243 1.644180 0.808272
C -3.743566 1.526709 -1.420541
C -4.394338 2.271413 -0.408454
H 4.015900 3.024237 1.977021
H 5.309644 2.081354 1.207027
H 4.607643 2.882259 -0.956198
H 3.309175 3.821960 -0.190182
H 1.913090 -3.469003 -0.180449
H 1.015892 -2.701169 -1.513246
H -3.579349 -2.524892 -0.706149
H -4.092095 -2.375774 1.026391
H 0.205810 -2.237027 1.345836
H -4.727747 -0.207783 1.955258
H -2.940454 -0.420037 -1.996449
H -5.256944 2.216685 1.593278
H -3.465634 2.009728 -2.363764
H -4.623819 3.331253 -0.567206


