%chk=000064186.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064186

0 1
 S   -4.128100       1.796000     -0.6127000    
 N   -1.913700     -0.6858000     -4.1400000E-02
 N   -4.115600      -1.616900     -0.3061000    
 C   0.3107000      0.2468000      0.2096000    
 C    2.283400      -1.253100      0.7419000    
 C    2.099300     -0.1858000      -1.533600    
 C    2.631300       1.229300      0.4827000    
 C   0.7806000      -1.015100      0.9714000    
 C   0.5970000      4.9300000E-02  -1.297900    
 C    1.127500       1.460700      0.7126000    
 C    2.542400      -1.440100     -0.7622000    
 C    3.071600     -3.2000002E-02   1.244000    
 C    2.888500       1.030000      -1.020200    
 C   -1.184700      0.4804000      0.4402000    
 C   -3.202200     -0.6586000      7.2899997E-02
 C   -3.788000      0.5947000      0.6987000    
 H    2.603200      -2.148500       1.286500    
 H    2.288400     -0.3238000      -2.604000    
 H    3.197600       2.095400      0.8430000    
 H   0.2293000      -1.904800      0.6424000    
 H   0.5865000     -0.9045000       2.046200    
 H   0.2694000      0.9303000      -1.865000    
 H   3.9500002E-02 -0.8069000      -1.697800    
 H   0.9408000       1.628300       1.781200    
 H   0.8123000       2.373700      0.1911000    
 H    3.608400      -1.630200     -0.9376000    
 H    1.997800      -2.318300      -1.130000    
 H    2.907700      0.1033000       2.320100    
 H    4.147000     -0.1973000       1.104200    
 H    3.960600      0.8835000      -1.200300    
 H    2.592800       1.929700      -1.573600    
 H   -1.456500       1.397700     -8.9699998E-02
 H   -1.313700      0.6146000       1.520800    
 H   -4.757500      0.3309000       1.139000    
 H   -3.227800       1.042900       1.517300    
 H   -3.810700      -2.484200     -0.7347000    
 H   -5.114100      -1.489700     -0.1805000    
 H   -4.948700       1.016000      -1.332200    


%chk=000064186-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064186

0 1
S -4.402523 1.936058 -0.656949
N -1.980957 -0.636888 0.104375
N -4.046057 -1.612264 -0.380054
C 0.347309 0.240409 0.265156
C 2.344455 -1.280735 0.730050
C 2.087423 -0.200656 -1.550573
C 2.697025 1.217985 0.461946
C 0.838758 -1.031902 1.013670
C 0.582841 0.044618 -1.260098
C 1.188864 1.457805 0.745253
C 2.558470 -1.474360 -0.796023
C 3.169259 -0.056687 1.214429
C 2.912483 1.022294 -1.064106
C -1.151229 0.501840 0.551636
C -3.284780 -0.563786 0.151154
C -4.120703 0.596665 0.676350
H 2.676161 -2.190042 1.270643
H 2.234763 -0.338445 -2.640694
H 3.280520 2.093631 0.811028
H 0.226780 -1.895176 0.690238
H 0.676687 -0.904747 2.105408
H 0.233329 0.945986 -1.806528
H -0.030041 -0.807941 -1.609639
H 1.031230 1.620027 1.832707
H 0.849523 2.378308 0.225108
H 3.629859 -1.668278 -1.008138
H 1.987529 -2.356546 -1.149582
H 3.040942 0.077836 2.307891
H 4.249471 -0.226670 1.028731
H 3.989645 0.866432 -1.277069
H 2.596754 1.933743 -1.611428
H -1.454618 1.444553 0.040900
H -1.269573 0.672390 1.648075
H -5.105539 0.269200 1.049126
H -3.594724 1.131015 1.481992
H -3.537921 -2.406697 -0.766474
H -5.033272 -1.716012 -0.160588
H -4.865845 1.054938 -1.621619


