%chk=000116192.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116192

0 1
 O  -0.2652000      -2.423600      -1.550100    
 N   2.9899999E-02  -1.119100       1.726300    
 N   0.3926000      -3.062100      0.5874000    
 C  -1.9700000E-02 -0.7515000      0.2724000    
 C   -1.352600     -5.2000000E-03 -2.3499999E-02
 C    1.271600      1.2500000E-02 -0.1271000    
 C   -1.562300       1.388800      0.1082000    
 C    1.599200       1.250300      0.4645000    
 C  -6.3999998E-03  -2.160400     -0.3833000    
 C  -0.5625000       2.426900      0.5703000    
 C   0.6355000       1.954700       1.375800    
 C   0.6824000      -2.421600       1.822900    
 C   -2.492600     -0.7856000     -0.3601000    
 C    2.202700     -0.5206000      -1.046300    
 C   -2.830600       1.934900     -0.2209000    
 C    2.811000       1.897800      0.1508000    
 C   -3.738300     -0.2285000     -0.6568000    
 C    3.400600      0.1317000      -1.354400    
 C   -3.903900       1.140700     -0.6050000    
 C    3.708500       1.339800     -0.7511000    
 H  -0.9283000      -1.237900       2.059200    
 H   -1.097400       3.140300       1.213200    
 H  -0.2278000       2.990100     -0.3117000    
 H    1.123200       2.832500       1.819500    
 H   0.3456000       1.330600       2.225500    
 H   0.2922000      -3.017900       2.652000    
 H    1.767300      -2.320300       1.923600    
 H   0.5213000      -4.053900      0.4138000    
 H   -2.441500      -1.871600     -0.3893000    
 H    2.036200      -1.469900      -1.545700    
 H   -2.989000       3.010900     -0.1576000    
 H    3.054000       2.857100      0.6021000    
 H   -4.571700     -0.8716000     -0.9232000    
 H    4.092100     -0.3141000      -2.063800    
 H   -4.863700       1.590000     -0.8382000    
 H    4.637100       1.850200     -0.9867000    


%chk=000116192-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116192

0 1
O -0.200177 -2.637495 -1.467050
N -0.033871 -0.992221 1.777710
N 0.442424 -3.025925 0.758480
C -0.053784 -0.752152 0.274219
C -1.365789 -0.016950 -0.085062
C 1.246749 -0.016142 -0.160274
C -1.591868 1.369069 0.197850
C 1.620574 1.206473 0.474643
C 0.020486 -2.229334 -0.292978
C -0.592650 2.387069 0.764965
C 0.693421 1.886229 1.460805
C 0.704469 -2.252313 1.996760
C -2.432022 -0.777518 -0.644733
C 2.091790 -0.550681 -1.165819
C -2.871859 1.915901 -0.100141
C 2.841058 1.827108 0.113710
C -3.689005 -0.211737 -0.933041
C 3.301412 0.086264 -1.523640
C -3.914201 1.154000 -0.658649
C 3.688180 1.276404 -0.873000
H -1.006157 -1.063664 2.115165
H -1.146063 3.025983 1.481282
H -0.292514 3.056093 -0.069048
H 1.203995 2.760982 1.905305
H 0.431960 1.185774 2.272168
H 0.338923 -2.774526 2.897346
H 1.788252 -2.053270 2.104935
H 0.714232 -3.998514 0.609646
H -2.268022 -1.829381 -0.888185
H 1.801292 -1.463005 -1.694533
H -3.042761 2.978009 0.118540
H 3.122067 2.763033 0.612386
H -4.478191 -0.831675 -1.371981
H 3.932445 -0.348703 -2.306668
H -4.883876 1.616909 -0.873341
H 4.628582 1.774306 -1.135073


