%chk=000121533.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121533

0 1
 O  -0.3106000      0.1420000     -0.9612000    
 N   -5.603400     -0.1340000      0.7230000    
 C    1.784200      0.6652000      0.2770000    
 C    2.965900     -0.2530000      0.7139000    
 C    2.928800      -1.010200     -0.6405000    
 C   0.6727000     -0.3685000     -7.7600002E-02
 C    2.302200       1.280900      -1.053600    
 C    1.466400      -1.506900     -0.7452000    
 C    3.081000      0.1159000      -1.687500    
 C    1.330600       1.719100       1.269900    
 C    4.300400      0.4651000      0.9977000    
 C    2.694100      -1.146700       1.941200    
 C   -1.616700      7.3899999E-02 -0.5450000    
 C   -2.183500      -1.162800     -0.2641000    
 C   -2.355900       1.242500     -0.4113000    
 C   -3.511400      -1.232000      0.1576000    
 C   -3.683600       1.173300      1.0600000E-02
 C   -4.261300     -6.3900001E-02  0.2951000    
 H    3.664400      -1.809500     -0.7567000    
 H   0.2085000     -0.7347000      0.8476000    
 H    2.963000       2.137400     -0.8796000    
 H    1.498200       1.632400      -1.708200    
 H    1.159900      -1.693900      -1.780100    
 H    1.336800      -2.442900     -0.1911000    
 H    2.672200     -0.1617000      -2.664700    
 H    4.131800      0.3857000      -1.836700    
 H   0.9684000       1.263600       2.197100    
 H    2.147300       2.400400       1.528900    
 H   0.5162000       2.322500      0.8553000    
 H    4.612900       1.165700      0.2206000    
 H    5.110300     -0.2655000       1.107000    
 H    4.240700       1.037300       1.930500    
 H    3.520200      -1.853200       2.085400    
 H    1.784400      -1.746800       1.882200    
 H    2.614900     -0.5399000       2.850300    
 H   -1.612800      -2.080200     -0.3764000    
 H   -1.908800       2.207600     -0.6318000    
 H   -3.950800      -2.202400      0.3744000    
 H   -4.257300       2.090800      0.1141000    
 H   -6.023200      -1.031100      0.9275000    
 H   -6.148300      0.7122000      0.8209000    


%chk=000121533-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121533

0 1
O -0.348262 0.835134 -0.195318
N -5.822555 -0.630677 -0.098155
C 2.009081 0.812574 0.535526
C 3.080886 -0.355224 0.647420
C 2.622320 -1.024153 -0.701756
C 0.690618 -0.015918 0.409783
C 2.310540 1.393935 -0.886679
C 1.098914 -1.252607 -0.466350
C 2.754188 0.142700 -1.725192
C 1.972210 1.859897 1.651213
C 4.546106 0.142828 0.639587
C 2.922887 -1.268344 1.890401
C -1.685917 0.390293 -0.136147
C -2.103897 -0.874016 0.345414
C -2.658435 1.305122 -0.608249
C -3.476176 -1.209819 0.359041
C -4.023524 0.968798 -0.597507
C -4.460437 -0.298191 -0.109682
H 3.171921 -1.938638 -0.985418
H 0.330328 -0.316594 1.414822
H 3.110125 2.154445 -0.828016
H 1.414482 1.882866 -1.300149
H 0.532746 -1.260724 -1.414350
H 0.897262 -2.207796 0.051330
H 2.106860 -0.021371 -2.605058
H 3.790935 0.242829 -2.093820
H 1.792136 1.397904 2.640928
H 2.922902 2.422430 1.704697
H 1.159228 2.586493 1.469754
H 4.764312 0.847151 -0.179271
H 5.238084 -0.715009 0.538456
H 4.787898 0.651441 1.592108
H 3.665377 -2.088029 1.853883
H 1.926126 -1.731459 1.980249
H 3.110443 -0.696106 2.818822
H -1.376920 -1.610087 0.701108
H -2.324872 2.280248 -0.977557
H -3.782846 -2.193949 0.734922
H -4.760844 1.692648 -0.966554
H -6.135550 -1.530902 0.250468
H -6.519882 0.023577 -0.438203


