%chk=000160871.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160871

0 1
 S  -0.8260000      -1.860200      0.4013000    
 O    3.116900      0.9949000      -1.806900    
 O    1.863700      1.8999999E-02   2.067700    
 O   -1.129000       3.570600      -1.135700    
 O   -1.136900       3.647600       1.135900    
 O    3.084000      -3.628000      -1.835000    
 O    1.622000      -1.945200      -2.257200    
 N    2.683200     -0.5003000     -6.0300000E-02
 N    2.518900      -2.728600       2.568400    
 N    1.428500       4.526600       1.223000    
 C    1.691300       3.129000     -0.8104000    
 C    1.743900       1.816400     -2.0500001E-02
 C    1.724500      -2.285900       1.419600    
 C   0.8906000       4.231600     -0.1044000    
 C    2.579500      0.7514000     -0.7229000    
 C    2.080900     -0.8115000       1.180300    
 C   0.2373000      -2.450300       1.758100    
 C    3.462700      -1.519400     -0.7655000    
 C  -0.5488000       3.790800      7.3600002E-02
 C   -2.368600      -1.714000       1.330000    
 C    2.624400      -2.363400      -1.690800    
 C   -3.503900      -1.228600      0.4713000    
 C   -4.307100      -2.145700     -0.2066000    
 C   -3.754100      0.1386000      0.3533000    
 C   -5.360300      -1.695600      -1.002900    
 C   -4.807400      0.5886000     -0.4428000    
 C   -5.610400     -0.3286000      -1.120900    
 H    2.714700       3.488800     -0.9827000    
 H    1.268500       2.936200      -1.804700    
 H   0.7354000       1.418600      0.1314000    
 H    2.210800       2.018600      0.9477000    
 H    1.951400      -2.941800      0.5836000    
 H   0.8991000       5.150300     -0.7014000    
 H  -7.4999998E-03  -1.878800       2.661400    
 H  -5.0000002E-04  -3.502600       1.949400    
 H    3.950900      -2.164000     -2.7000001E-02
 H    4.253300      -1.054500      -1.364200    
 H    3.508600      -2.717500       2.324100    
 H    2.292400      -3.697800       2.788600    
 H   -2.624000      -2.687900       1.763400    
 H   -2.224800      -1.022800       2.168600    
 H    2.402600       4.815000       1.139200    
 H   0.9307000       5.319900       1.625700    
 H   -4.122300      -3.213400     -0.1237000    
 H   -3.134600      0.8639000      0.8744000    
 H   -2.062300       3.281900      -1.045600    
 H   -5.985300      -2.409600      -1.531100    
 H   -5.001500       1.653200     -0.5357000    
 H   -6.430200      2.1900000E-02  -1.741100    
 H    2.520700      -4.156600      -2.439500    


%chk=000160871-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160871

0 1
S -1.230669 -2.644969 0.416655
O 3.612082 1.036775 -1.020999
O 0.917218 -0.455073 1.804409
O -1.521285 2.415914 -1.347141
O -1.737480 3.607836 0.634218
O 4.749426 -2.601634 -2.118303
O 2.470778 -2.162305 -2.272055
N 2.624267 -0.664939 0.203767
N 2.635591 -3.244634 2.015949
N 0.841023 4.507911 0.507614
C 1.311576 2.685456 -1.138114
C 1.424737 1.578040 -0.074257
C 1.535863 -2.737491 1.153676
C 0.344351 3.816412 -0.684746
C 2.621988 0.683376 -0.323384
C 1.650612 -1.189975 1.086004
C 0.130726 -3.153453 1.641556
C 3.752335 -1.507625 -0.244111
C -1.058765 3.289814 -0.373379
C -2.205401 -1.442338 1.546943
C 3.540569 -2.090095 -1.634024
C -3.282413 -0.717381 0.769448
C -4.246683 -1.422450 0.001457
C -3.361887 0.698363 0.826309
C -5.261610 -0.729538 -0.695318
C -4.385525 1.395317 0.137554
C -5.337818 0.681653 -0.628635
H 2.305501 3.133354 -1.316259
H 0.958955 2.264936 -2.096254
H 0.502278 0.974895 -0.027079
H 1.531342 2.053175 0.922789
H 1.689736 -3.138737 0.135058
H 0.210445 4.491927 -1.566253
H -0.096611 -2.672051 2.607662
H 0.090895 -4.250356 1.757376
H 3.896297 -2.322175 0.493809
H 4.665230 -0.891490 -0.270205
H 2.597637 -2.890907 2.978830
H 2.749573 -4.263637 1.987629
H -2.638334 -2.059830 2.353847
H -1.465097 -0.743565 1.968140
H 1.604612 5.165263 0.348413
H 0.114979 4.826918 1.154322
H -4.191914 -2.516083 -0.056396
H -2.637028 1.266023 1.421333
H -2.409314 2.034077 -1.084562
H -5.994265 -1.289487 -1.287347
H -4.445795 2.486151 0.229569
H -6.131027 1.218028 -1.161226
H 4.604197 -2.988598 -3.023790


