%chk=000178678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178678

0 1
 S   -1.086800       3.145200      0.1636000    
 S    1.510600       1.424000     -1.7800000E-02
 S   -4.086000       2.909900      0.4071000    
 O  -0.2425000     -0.6147000     -0.1224000    
 N   -2.256600      0.7945000      4.6399999E-02
 N    2.004700      -1.195900     -0.2708000    
 C  -0.8798000      0.6169000      2.8999999E-02
 C   -3.193500     -0.2857000     -2.7899999E-02
 C  -0.1531000       1.728200      8.3899997E-02
 C   -2.604700       2.168700      0.1677000    
 C    1.098200     -0.2879000     -0.1506000    
 C   -2.855200      -1.535600      0.4866000    
 C   -4.441400     -8.3200000E-02 -0.6139000    
 C    3.328900     -0.7407000     -0.2887000    
 C    4.056400     -0.6145000      0.8947000    
 C   -3.768500      -2.587600      0.4150000    
 C   -5.354800      -1.135100     -0.6855000    
 C    3.919500     -0.4120000      -1.508900    
 C    5.374400     -0.1594000      0.8579000    
 C   -5.018300      -2.387200     -0.1710000    
 C    3.445900     -0.9602000       2.213400    
 C    5.237600      4.2900000E-02  -1.545700    
 C    5.965000      0.1692000     -0.3623000    
 H   -1.924400      -1.727500       1.009000    
 H   -4.716700      0.8273000      -1.130800    
 H   -3.512300      -3.559200      0.8273000    
 H   -6.318600     -0.9871000      -1.164200    
 H    3.363000     -0.5088000      -2.437700    
 H    5.954200     -5.3500000E-02   1.771100    
 H   -5.728400      -3.206900     -0.2292000    
 H    2.740900     -0.1844000       2.527300    
 H    2.925000      -1.922300       2.164400    
 H    4.207200      -1.055400       2.995600    
 H    5.697600      0.2985000      -2.495700    
 H    6.991100      0.5240000     -0.3911000    


%chk=000178678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178678

0 1
S -1.931280 3.659402 -0.705657
S 1.160504 2.403372 -0.521185
S -4.881431 2.668624 -0.545135
O -0.327105 0.108311 -0.099527
N -2.577017 1.100587 -0.265403
N 1.961595 -0.355316 0.009314
C -1.180119 1.206030 -0.224641
C -3.266755 -0.155109 -0.020068
C -0.640140 2.439348 -0.431637
C -3.234596 2.329049 -0.497677
C 1.053061 0.503318 -0.182614
C -2.932967 -0.909817 1.127482
C -4.249418 -0.606258 -0.928716
C 3.368045 -0.272531 -0.074295
C 4.122562 -1.194469 0.718102
C -3.591366 -2.135834 1.362256
C -4.906703 -1.829779 -0.678598
C 4.028412 0.643260 -0.940278
C 5.533286 -1.146700 0.629728
C -4.580656 -2.596950 0.463841
C 3.418960 -2.174682 1.633324
C 5.435984 0.663165 -1.012502
C 6.193353 -0.229883 -0.220976
H -2.169984 -0.548067 1.823581
H -4.496877 -0.008516 -1.809581
H -3.334029 -2.724998 2.248589
H -5.670359 -2.183281 -1.379134
H 3.443394 1.312092 -1.582051
H 6.122720 -1.844462 1.235903
H -5.093233 -3.546350 0.651971
H 2.913193 -1.651472 2.466333
H 2.631731 -2.726825 1.089990
H 4.132386 -2.897332 2.064481
H 5.936017 1.365913 -1.687519
H 7.287430 -0.219339 -0.271901


