%chk=000145900.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145900

0 1
 S  -0.3687000     -0.7081000     -0.7045000    
 O  -0.7347000      0.2926000      -1.703700    
 O  -0.7167000      -2.112300     -0.9091000    
 O   -5.398500       1.777600     -0.1936000    
 O    6.835600       1.104800      0.5425000    
 N    2.019700      0.5506000     -0.1503000    
 N    2.180300      -1.620900     -0.5965000    
 N   -3.109000      -1.451900       1.080100    
 C   -1.059400     -0.2036000      0.8615000    
 C    1.359600     -0.6015000     -0.4759000    
 C   -2.550900     -0.2690000      0.7443000    
 C   -3.264300      0.8362000      0.3149000    
 C    3.355400      0.2550000     -5.4499999E-02
 C    3.429600      -1.106100     -0.3373000    
 C   -4.646800      0.7198000      0.2242000    
 C   -5.261300     -0.4813000      0.5608000    
 C    4.470800       1.037300      0.2462000    
 C   -2.581600       2.113900     -4.0600002E-02
 C    4.683100      -1.740800     -0.3239000    
 C   -4.455100      -1.527400      0.9792000    
 C    5.710400      0.3893000      0.2551000    
 C    5.816900     -0.9750000     -2.4599999E-02
 C   -6.737900     -0.6567000      0.4802000    
 C   -5.642400       1.885000      -1.594300    
 C    6.665900       2.492600      0.8197000    
 H  -0.7141000     -0.9296000       1.606900    
 H  -0.6592000      0.7670000       1.150900    
 H    1.599300       1.459100     -6.3000000E-03
 H    4.320400       2.088600      0.4536000    
 H   -3.258400       2.966700      8.9900002E-02
 H   -1.730400       2.352000      0.5997000    
 H   -2.269600       2.114800      -1.087400    
 H    4.776300      -2.800300     -0.5397000    
 H   -4.873300      -2.490800       1.254000    
 H    6.791700      -1.456800     -1.1600000E-02
 H   -7.043100     -0.8405000     -0.5545000    
 H   -7.072200      -1.504700       1.088100    
 H   -7.262300      0.2276000      0.8572000    
 H   -6.252200       2.776000      -1.766900    
 H   -6.189800       1.012400      -1.963100    
 H   -4.702900       1.994700      -2.144800    
 H    6.272300       3.032500     -4.8200000E-02
 H    7.659200       2.904400       1.026400    
 H    6.061600       2.653600       1.719000    


%chk=000145900-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145900

0 1
S -0.368098 1.317964 -0.300104
O 0.003961 2.924448 -0.145265
O -1.167306 0.798788 -1.621995
O -6.050189 1.027034 -0.286331
O 7.220050 -0.019433 0.100641
N 2.415530 1.434892 -0.135700
N 1.659083 -0.731895 -0.138685
N -2.775814 -1.165561 1.265216
C -1.346260 0.760968 1.395111
C 1.338134 0.553913 -0.172835
C -2.669805 0.186831 1.053737
C -3.731589 0.987870 0.531935
C 3.564094 0.636486 -0.073890
C 3.074394 -0.718974 -0.074234
C -4.938914 0.309108 0.214583
C -5.087027 -1.083423 0.449066
C 4.937965 0.957861 -0.015981
C -3.596779 2.478786 0.317020
C 3.992497 -1.795908 -0.013988
C -3.962279 -1.760875 0.986750
C 5.825242 -0.140860 0.040854
C 5.359249 -1.496063 0.041931
C -6.378179 -1.806039 0.141551
C -5.993486 1.316736 -1.736313
C 7.787360 1.330926 0.101046
H -0.679885 0.006260 1.836421
H -1.325265 1.734564 1.906775
H 2.299693 2.452169 -0.154106
H 5.288698 1.992603 -0.018205
H -4.592165 2.949859 0.270732
H -3.020142 2.962509 1.124800
H -3.062006 2.698367 -0.626694
H 3.634435 -2.828961 -0.014938
H -4.019739 -2.837295 1.188186
H 6.112618 -2.287556 0.086724
H -6.561463 -1.858791 -0.948362
H -6.354348 -2.838205 0.530369
H -7.240295 -1.275523 0.581648
H -6.892959 1.912090 -1.953068
H -6.009166 0.378372 -2.322760
H -5.085631 1.892234 -1.995467
H 7.525238 1.876764 -0.826384
H 8.876032 1.185138 0.150320
H 7.447813 1.908625 0.982990


