%chk=000158561.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158561

0 1
 S   -3.710900      7.8699999E-02  0.8343000    
 P   -2.700700      -1.394900     -0.3020000    
 O   -3.375500      -2.845900      1.0100000E-02
 O   -2.865800      -1.066300      -1.766900    
 N   -1.127000      -1.474800      0.2270000    
 C    1.224900      -2.095200     -4.7800001E-02
 C    1.598400     -0.7149000     -0.5945000    
 C  -0.2258000      -2.443100     -0.3770000    
 C    3.016400     -0.3416000     -0.2454000    
 C    4.044300     -0.6832000      -1.111700    
 C    3.271100      0.3379000      0.9367000    
 C    5.356500     -0.3375000     -0.7888000    
 C    4.583300      0.6838000       1.259700    
 C   -2.682400       1.463900      0.3879000    
 C    5.625900      0.3461000      0.3970000    
 C   -3.000100       2.238200     -0.7282000    
 C   -1.559300       1.774500       1.154700    
 C   -3.451200      -3.340100       1.336300    
 C   -2.195200       3.322600      -1.077200    
 C  -0.7543000       2.859000      0.8058000    
 C   -1.072400       3.632900     -0.3102000    
 H    1.882100      -2.859500     -0.4811000    
 H    1.379500      -2.129400       1.038600    
 H    1.471500     -0.6957000      -1.684900    
 H   0.9289000      6.1999999E-02 -0.2061000    
 H  -0.3587000      -2.452100      -1.464600    
 H  -0.4595000      -3.447500     -8.6000003E-03
 H  -0.9842000      -1.467200       1.236500    
 H    3.844800      -1.217000      -2.036500    
 H    2.465900      0.6039000       1.615900    
 H    6.168500     -0.6008000      -1.460300    
 H    4.793100       1.215600       2.183100    
 H    6.647600      0.6151000      0.6485000    
 H   -3.871000       2.011400      -1.338300    
 H   -1.295200       1.183900       2.028600    
 H   -2.481900      -3.269900       1.835100    
 H   -3.750400      -4.390600       1.297900    
 H   -4.202700      -2.782500       1.900100    
 H   -2.442500       3.925100      -1.946400    
 H   0.1208000       3.099800       1.402300    
 H  -0.4452000       4.476800     -0.5823000    


%chk=000158561-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158561

0 1
S -3.455451 0.107152 0.906241
P -2.517663 -1.580600 -0.417868
O -3.831415 -2.726961 -0.439743
O -2.066842 -1.263978 -1.910952
N -1.269037 -2.176229 0.611308
C 1.235249 -2.141237 0.224223
C 1.325845 -0.932234 -0.745549
C -0.090032 -2.927832 0.118753
C 2.658392 -0.208422 -0.616363
C 3.804077 -0.664548 -1.319972
C 2.799231 0.910945 0.244647
C 5.055077 -0.025390 -1.166665
C 4.048713 1.553062 0.403038
C -2.139302 1.385319 0.690348
C 5.182882 1.086028 -0.300915
C -1.814927 1.880271 -0.595961
C -1.519343 1.914848 1.847505
C -4.281730 -3.333030 0.826989
C -0.849363 2.905330 -0.717184
C -0.572843 2.957693 1.715362
C -0.232211 3.450003 0.433838
H 2.067673 -2.843130 0.014665
H 1.380534 -1.792294 1.267149
H 1.181389 -1.299160 -1.779881
H 0.489876 -0.238684 -0.540778
H -0.281618 -3.197104 -0.936527
H -0.012416 -3.873738 0.690935
H -1.245745 -1.832482 1.574285
H 3.711082 -1.521336 -1.999834
H 1.919842 1.287274 0.782131
H 5.926677 -0.388986 -1.723284
H 4.137208 2.418811 1.069962
H 6.151660 1.584408 -0.181630
H -2.299036 1.464184 -1.484802
H -1.781201 1.523434 2.836222
H -3.434036 -3.779653 1.380297
H -4.989443 -4.119204 0.523650
H -4.799269 -2.590164 1.462509
H -0.585174 3.279349 -1.711980
H -0.103323 3.378381 2.611497
H 0.507612 4.251404 0.331634


