%chk=000122326.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122326

0 1
 S    1.010500      -1.506300      -1.264400    
 O    3.202800      0.9295000      0.7923000    
 N    1.203200      0.9727000     -0.4095000    
 N   -2.324800      7.4800000E-02   1.591900    
 C   0.2634000      0.1390000      -1.146400    
 C    2.389400      -1.120900     -0.1590000    
 C    2.330600      0.3650000      0.1357000    
 C   -1.058400      4.3400001E-02 -0.4642000    
 C    2.278000      -1.923800       1.127300    
 C   0.9702000       2.399700     -0.2479000    
 C   -2.224000     -0.1588000      -1.191900    
 C   -1.159000      0.1529000      0.9118000    
 C   -3.442700     -0.2446000     -0.5279000    
 C   -3.439200     -0.1226000      0.8523000    
 H   0.1627000      0.5666000      -2.150200    
 H    3.329600      -1.340200     -0.6743000    
 H    3.119600      -1.697400       1.791900    
 H    1.363400      -1.688900       1.683400    
 H    2.297100      -3.001000      0.9296000    
 H   0.8660000       2.848300      -1.239900    
 H    1.804000       2.879400      0.2714000    
 H   5.6100000E-02   2.571300      0.3245000    
 H   -2.197000     -0.2513000      -2.274100    
 H  -0.2969000      0.2946000       1.554800    
 H   -4.366000     -0.4022000      -1.073400    
 H   -4.363500     -0.1823000       1.417300    


%chk=000122326-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122326

0 1
S 0.978082 -1.711091 -1.118034
O 3.255298 1.020308 0.711300
N 1.184560 0.896008 -0.380949
N -2.544302 -0.059089 1.595431
C 0.204805 0.058859 -1.078690
C 2.495427 -1.164018 -0.112785
C 2.364023 0.350530 0.114245
C -1.168952 0.038076 -0.435381
C 2.639718 -1.928230 1.216124
C 0.939423 2.343926 -0.289920
C -2.336510 0.045755 -1.234411
C -1.332363 -0.012953 0.974065
C -3.602413 -0.010677 -0.609757
C -3.658774 -0.062859 0.801065
H 0.115974 0.377535 -2.135580
H 3.383725 -1.328987 -0.746535
H 3.514393 -1.535640 1.765530
H 1.740518 -1.804495 1.843810
H 2.789164 -3.006185 1.034361
H 0.865831 2.792770 -1.298546
H 1.794813 2.787097 0.245818
H 0.008536 2.554143 0.265824
H -2.256086 0.090627 -2.327546
H -0.455751 -0.014915 1.633107
H -4.525000 -0.011517 -1.198363
H -4.619041 -0.108078 1.326918


