%chk=000039710.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039710

0 1
 S    3.262600       2.475300     -0.5664000    
 O   -1.301400      -1.230500     -0.2572000    
 O   -1.388500       1.473300     -0.8978000    
 O  -0.5688000       1.946900       1.226200    
 N   0.5663000       2.593300     -0.6916000    
 C   -1.475700      -2.344700      -1.130300    
 C    3.033100     -0.2953000     -0.7572000    
 C    3.025900      0.8232000      7.5999998E-02
 C    2.649500      -1.721900       1.154600    
 C    2.844700      -1.567900     -0.2180000    
 C   -2.407100     -0.4869000      2.6000001E-02
 C    2.830500      0.6692000       1.448500    
 C  -0.6230000      -2.144500      -2.373900    
 C   -1.108900      -3.622500     -0.3911000    
 C    2.642400     -0.6034000       1.987900    
 C   -2.479000      0.8537000     -0.2800000    
 C    3.237800     -0.1819000      -2.234300    
 C    2.449400      -3.082300       1.731700    
 C   -3.501400      -1.093000      0.6432000    
 C    1.694100       3.243400     -5.5000000E-02
 C   -3.589000       1.620000     -3.9999999E-04
 C   -4.639600     -0.3426000      0.9386000    
 C   -4.683300       1.013900      0.6168000    
 C  -0.4705000       2.005000      4.0000002E-03
 H   -2.519100      -2.429000      -1.463500    
 H    2.848800      -2.442700     -0.8641000    
 H    2.831800       1.521800       2.122900    
 H  -0.7366000      -2.977700      -3.073900    
 H  -0.9042000      -1.217500      -2.885200    
 H   0.4356000      -2.049600      -2.112400    
 H   -1.238700      -4.501600      -1.029700    
 H   -1.725900      -3.749100      0.5039000    
 H  -6.8300001E-02  -3.590100     -5.1800001E-02
 H    2.493100     -0.7133000       3.058700    
 H    2.443400      0.4195000      -2.688700    
 H    4.212100      0.2652000      -2.457300    
 H    3.216200      -1.161300      -2.725400    
 H    2.508000      -3.864200      0.9672000    
 H    3.219600      -3.293700       2.480800    
 H    1.463800      -3.151400       2.203800    
 H   -3.482400      -2.145300      0.9111000    
 H    1.586700       3.244500       1.033100    
 H    1.696600       4.282600     -0.3966000    
 H   -3.623600       2.675600     -0.2510000    
 H   -5.490700     -0.8138000       1.421400    
 H   -5.569200       1.598400      0.8473000    
 H   0.5363000       2.574500      -1.706100    


%chk=000039710-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000039710

0 1
S 2.086212 0.922647 -1.704885
O -2.378599 -0.252498 -1.170989
O -2.231266 2.307272 -0.288330
O -0.667859 1.103138 1.032977
N -0.013244 2.566309 -0.686885
C -2.194119 -1.703245 -1.484322
C 4.059521 -0.868095 -0.776010
C 2.806630 -0.261371 -0.474373
C 3.917050 -2.137300 1.360373
C 4.582603 -1.802203 0.156652
C -3.409882 0.151702 -0.325848
C 2.112619 -0.593351 0.713995
C -1.238344 -1.717426 -2.680632
C -1.639161 -2.439584 -0.253771
C 2.670926 -1.513481 1.624732
C -3.324188 1.496038 0.135758
C 4.826534 -0.552238 -2.047039
C 4.517387 -3.129594 2.341686
C -4.525608 -0.626795 0.067420
C 1.407659 2.345963 -0.576955
C -4.327944 2.064650 0.931584
C -5.537520 -0.055783 0.873764
C -5.450780 1.286905 1.301980
C -0.926615 1.893678 0.099924
H -3.178391 -2.121114 -1.783083
H 5.547707 -2.274181 -0.069043
H 1.136706 -0.141118 0.928377
H -1.030723 -2.758451 -2.987387
H -1.676748 -1.177037 -3.537048
H -0.285078 -1.229301 -2.411948
H -1.517232 -3.514671 -0.481019
H -2.309371 -2.342851 0.617734
H -0.654311 -2.024336 0.020246
H 2.122422 -1.754113 2.543803
H 4.314662 -0.954245 -2.942305
H 4.912679 0.539248 -2.199476
H 5.839976 -0.987506 -2.014083
H 5.450142 -3.572610 1.951839
H 4.754258 -2.644911 3.308012
H 3.815107 -3.956358 2.558166
H -4.617814 -1.667490 -0.257029
H 1.678292 2.073899 0.453341
H 1.951321 3.246307 -0.897304
H -4.217762 3.103927 1.256212
H -6.397090 -0.669256 1.165275
H -6.237908 1.724412 1.923790
H -0.389455 3.098019 -1.473078


