%chk=000150307.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150307

0 1
 S  -0.5003000      0.2443000     -0.8965000    
 O  -0.4573000     -0.6084000      -2.069400    
 O  -0.3541000       1.681300      -1.032600    
 N    3.188100     -0.5542000      0.5521000    
 N   -1.918500     -0.1021000      9.2000002E-03
 C    4.511700     -0.3147000     -4.6999999E-03
 C    3.944800      0.5832000       1.055800    
 C    2.152900     -0.1120000     -0.3741000    
 C   0.7687000     -0.3179000      0.2183000    
 C   -2.169800      -1.513300      0.3947000    
 C   -2.308700      0.8492000       1.079600    
 C   -3.657800      -1.788200      0.5323000    
 C   -3.199800       1.952800      0.5353000    
 H    4.591100      6.6600002E-02  -1.014600    
 H    5.277500      -1.021300      0.2867000    
 H    4.328600      0.4786000       2.062600    
 H    3.653700       1.588800      0.7828000    
 H    2.224800     -0.7138000      -1.290400    
 H    2.260400      0.9317000     -0.7008000    
 H   0.6637000      0.2446000       1.151100    
 H   0.5985000      -1.380700      0.4154000    
 H   -1.772100      -2.181000     -0.3770000    
 H   -1.655900      -1.745100       1.334100    
 H   -2.812200      0.3526000       1.914100    
 H   -1.409700       1.296600       1.518800    
 H   -3.825800      -2.857400      0.6977000    
 H   -4.111700      -1.254700       1.371600    
 H   -4.193600      -1.497900     -0.3777000    
 H   -2.703400       2.527900     -0.2512000    
 H   -4.118200       1.533700      0.1110000    
 H   -3.478600       2.645000       1.335900    


%chk=000150307-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150307

0 1
S -0.422480 0.301131 -0.871764
O -0.381566 -0.746874 -2.114893
O -0.268804 1.908832 -1.088290
N 3.406078 -0.678132 0.476388
N -2.093100 0.044498 -0.031693
C 4.813745 -0.368040 0.023817
C 4.168944 0.454308 1.129200
C 2.330558 -0.267724 -0.471236
C 1.025049 -0.220457 0.328195
C -2.283035 -1.385953 0.333637
C -2.371579 1.088080 0.996137
C -3.780189 -1.748846 0.393115
C -3.750022 1.742389 0.768577
H 4.947301 0.119712 -0.951400
H 5.559229 -1.130452 0.267729
H 4.449667 0.286888 2.173288
H 3.875808 1.484563 0.882459
H 2.253472 -1.036316 -1.260566
H 2.518258 0.718072 -0.958260
H 1.013484 0.553311 1.111932
H 0.743347 -1.210235 0.719070
H -1.802767 -1.988059 -0.460255
H -1.801326 -1.633050 1.309235
H -2.296727 0.654716 2.017738
H -1.603416 1.880169 0.899552
H -3.888073 -2.837292 0.553951
H -4.296372 -1.231503 1.220018
H -4.274653 -1.479830 -0.555222
H -3.780822 2.204450 -0.232038
H -4.569350 1.007667 0.833726
H -3.923659 2.528176 1.527953


