%chk=000085206.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085206

0 1
 S    5.081500       1.404300      0.8440000    
 O   -2.800200       1.803100     -0.5359000    
 O   -5.818400      -2.497100      0.4410000    
 O    5.246100       1.252600       2.283800    
 O    5.449000       2.658800      0.2023000    
 N  -0.6024000      0.3958000     -0.5828000    
 C   -2.859200     -0.5405000     -0.1878000    
 C   -3.656600      -1.658500      6.6100001E-02
 C   -1.473800     -0.6879000     -0.3264000    
 C   -4.929200      0.9417000     -0.1625000    
 C   -5.726500     -0.1761000      9.1700003E-02
 C   -3.466300      0.8003000     -0.3117000    
 C   -5.119300      -1.517000      0.2158000    
 C   0.7413000      0.6350000     -0.2452000    
 C   -3.068700      -2.923900      0.1810000    
 C  -0.8921000      -1.950800     -0.2107000    
 C    3.412600       1.108200      0.4253000    
 C   -1.687700      -3.066400      4.2399999E-02
 C   -5.517000       2.207200     -0.2773000    
 C   -7.111800     -2.8500000E-02  0.2308000    
 C    1.546700       1.414800      -1.078800    
 C    1.278000      9.2799999E-02  0.9254000    
 C    2.880100       1.651000     -0.7443000    
 C    2.611400      0.3290000       1.260100    
 C    6.075900      0.1214000      0.1312000    
 C   -6.897800       2.349800     -0.1374000    
 C   -7.693500       1.234300      0.1159000    
 C    6.586500      0.2969000      -1.140700    
 C    6.317700      -1.025000      0.8638000    
 C    7.368500     -0.7127000      -1.701700    
 C    7.099900      -2.034500      0.3027000    
 C    7.625400      -1.878300     -0.9801000    
 H   -1.014500       1.123300      -1.159200    
 H   -3.667300      -3.809500      0.3765000    
 H   0.1748000      -2.108900     -0.3432000    
 H   -1.233500      -4.049700      0.1248000    
 H   -4.920800       3.094100     -0.4746000    
 H   -7.754100     -0.8824000      0.4288000    
 H    1.144900       1.841300      -1.994500    
 H   0.6729000     -0.4973000       1.608300    
 H    3.486300       2.253700      -1.414600    
 H    3.005800     -0.1036000       2.175300    
 H   -7.353300       3.331900     -0.2264000    
 H   -8.768300       1.348100      0.2241000    
 H    6.391200       1.193900      -1.719900    
 H    5.910500      -1.170800       1.859300    
 H    7.776000     -0.5921000      -2.701200    
 H    7.298000      -2.943300      0.8634000    
 H    8.233400      -2.664800      -1.417300    


%chk=000085206-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085206

0 1
S 5.289270 1.295772 1.003122
O -2.730128 1.800028 -0.610776
O -6.055911 -2.483213 0.428873
O 5.570413 0.854784 2.556491
O 5.605949 2.790793 0.411504
N -0.650669 0.379991 -0.018148
C -2.923812 -0.516395 0.067130
C -3.796906 -1.631311 0.302788
C -1.491718 -0.704778 0.203273
C -4.963565 0.942179 -0.407863
C -5.836597 -0.153999 -0.151760
C -3.485152 0.786914 -0.324390
C -5.287757 -1.492924 0.206454
C 0.731469 0.517137 0.236228
C -3.279285 -2.897929 0.631976
C -0.997285 -2.014986 0.498450
C 3.459564 0.963930 0.675347
C -1.878612 -3.084695 0.707478
C -5.507257 2.204834 -0.753479
C -7.238878 0.024560 -0.243579
C 1.450275 1.450963 -0.567398
C 1.406780 -0.151482 1.298967
C 2.819833 1.684803 -0.346850
C 2.780445 0.071148 1.519071
C 6.241531 0.066065 -0.091133
C -6.903106 2.375342 -0.840428
C -7.771767 1.283096 -0.585171
C 6.611915 0.482729 -1.379031
C 6.587658 -1.176000 0.462920
C 7.348607 -0.426153 -2.174375
C 7.324865 -2.071142 -0.347418
C 7.696047 -1.698600 -1.661462
H -1.175149 1.212528 -0.383621
H -3.981388 -3.718419 0.804216
H 0.080064 -2.193405 0.517921
H -1.471520 -4.078850 0.920180
H -4.816232 3.030544 -0.947049
H -7.883532 -0.836930 -0.043128
H 0.924159 1.987166 -1.364573
H 0.852760 -0.794410 1.987718
H 3.377265 2.420353 -0.935867
H 3.306661 -0.399950 2.356031
H -7.318578 3.353309 -1.105463
H -8.856188 1.419090 -0.654020
H 6.359747 1.489090 -1.729715
H 6.315873 -1.415856 1.496324
H 7.656972 -0.136884 -3.184414
H 7.615316 -3.049263 0.050015
H 8.269656 -2.395875 -2.281767


