%chk=000131100.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131100

0 1
 S  -0.2335000       1.609300      0.1832000    
 O   -6.565300      0.2401000      0.3742000    
 O    4.731900      -1.488500     -0.1277000    
 O    4.940700       1.252800      0.2051000    
 N   -3.186100       1.269800      7.4699998E-02
 N   -4.538500       1.277000      0.1042000    
 C   -3.314800      -1.180100     -0.1923000    
 C   -2.563700      0.1335000     -2.4400000E-02
 C   -4.602600      -1.101200      0.6123000    
 C   -1.064000      0.1330000     -6.2000002E-03
 C   -3.590500      -1.444400      -1.673800    
 C    1.177400     -0.5438000     -5.9500001E-02
 C  -0.2030000     -0.9318000     -0.1244000    
 C    1.307100      0.8383000      0.1094000    
 C   -5.336900      0.1813000      0.3330000    
 C    2.357600      -1.322000     -0.1383000    
 C    2.570900       1.453900      0.1998000    
 C    3.612800     -0.7144000     -4.8400000E-02
 C    3.715900      0.6591000      0.1182000    
 C    5.247700      -2.008000       1.095900    
 C    5.537000       1.686100      -1.015000    
 H   -2.720600      -2.008100      0.2068000    
 H   -4.380400      -1.119100       1.686300    
 H   -5.257600      -1.950000      0.3881000    
 H   -2.651000      -1.532900      -2.230200    
 H   -4.148400      -2.377200      -1.805600    
 H   -4.164200     -0.6345000      -2.136700    
 H  -0.5222000      -1.957800     -0.2577000    
 H   -4.955200       2.195400     -9.9999998E-03
 H    2.284900      -2.399300     -0.2704000    
 H    2.654600       2.529500      0.3315000    
 H    6.141000      -2.596400      0.8688000    
 H    4.511500      -2.660500       1.576100    
 H    5.527400      -1.194700       1.772900    
 H    5.692600      0.8393000      -1.690800    
 H    6.508700       2.130400     -0.7827000    
 H    4.912800       2.443700      -1.499500    


%chk=000131100-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131100

0 1
S -0.346454 1.749947 0.344628
O -6.758768 0.196354 0.396208
O 4.676056 -1.543000 -0.184944
O 4.931469 1.329684 0.213772
N -3.277638 1.253104 0.270965
N -4.677292 1.213851 0.253507
C -3.382846 -1.197153 -0.254683
C -2.639502 0.101713 0.065944
C -4.725446 -1.219385 0.519884
C -1.187845 0.145965 0.082349
C -3.600673 -1.308212 -1.790558
C 1.102002 -0.495361 -0.030653
C -0.283984 -0.896552 -0.089996
C 1.254241 0.912334 0.195663
C -5.500971 0.085061 0.368390
C 2.266831 -1.300984 -0.146764
C 2.522781 1.516673 0.267776
C 3.536730 -0.712747 -0.054032
C 3.667914 0.707089 0.122999
C 5.511090 -1.629691 1.037269
C 5.769644 1.225921 -1.006565
H -2.779313 -2.061052 0.075523
H -4.542652 -1.368506 1.603270
H -5.372394 -2.044803 0.179567
H -2.637499 -1.284528 -2.329151
H -4.114327 -2.255557 -2.035864
H -4.221770 -0.475260 -2.166661
H -0.591991 -1.931855 -0.255298
H -5.118973 2.135818 0.273845
H 2.198785 -2.383338 -0.294902
H 2.657925 2.591649 0.417212
H 6.355696 -2.282315 0.769006
H 4.930329 -2.084173 1.862256
H 5.873347 -0.630582 1.339732
H 5.934540 0.169531 -1.282852
H 6.720992 1.714427 -0.747523
H 5.283965 1.763733 -1.842418


