%chk=000083767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083767

0 1
 S   -2.734900       1.037800      -1.648300    
 O    2.470800      -2.298700      0.2423000    
 O    4.780600       1.005700       1.649700    
 O    5.014100       2.853100      0.3527000    
 O    2.466500      -1.132600      -1.736400    
 O   -3.782100      0.9671000      -2.649000    
 O   -1.345200      0.8652000      -2.025500    
 N    3.050700     -0.1268000      0.2716000    
 N  -0.7719000       2.505400      0.2294000    
 N   -2.899100       2.488800     -0.7557000    
 N   -2.332300       4.294400      0.5945000    
 C    2.078700       2.090700     -0.2249000    
 C    3.322300       1.197300     -0.2275000    
 C    1.467500       2.314000       1.163600    
 C    2.048700      -3.475100     -0.4569000    
 C   0.2122000       3.175700       1.080900    
 C   0.6986000      -3.192100      -1.114200    
 C    1.921600      -4.599200      0.5688000    
 C    3.103700      -3.821700      -1.506500    
 C    4.459100       1.787100      0.5857000    
 C    2.645600      -1.180700     -0.5239000    
 C   -1.902100       3.102100      7.2499998E-02
 C   -3.075800     -0.1712000     -0.4049000    
 C   -4.384400     -0.6072000     -0.1969000    
 C   -2.036600     -0.6900000      0.3674000    
 C   -3.614400      -2.081100       1.555800    
 C   -4.653600      -1.562100      0.7834000    
 C   -2.305900      -1.644900       1.347700    
 C   -3.902800      -3.101200       2.604800    
 H    1.334700       1.637600     -0.8911000    
 H    2.337700       3.065600     -0.6573000    
 H    3.691100       1.094700      -1.255400    
 H    1.210800       1.349400       1.617300    
 H    2.192500       2.803300       1.823500    
 H  -0.1859000       3.311700       2.093600    
 H   0.4714000       4.159500      0.6713000    
 H    3.141600     -0.3001000       1.268500    
 H   1.6700000E-02  -2.715300     -0.4040000    
 H   0.7420000      -2.551500      -1.998000    
 H   0.2331000      -4.127200      -1.447700    
 H    1.201400      -4.331700       1.350600    
 H    2.878000      -4.772600       1.075400    
 H    1.598600      -5.538100      0.1073000    
 H    3.072500      -3.200000      -2.404800    
 H    4.114400      -3.739200      -1.090100    
 H    2.969000      -4.851700      -1.857800    
 H   -3.781100       3.001900     -0.8811000    
 H   -5.208500     -0.2114000     -0.7836000    
 H   -1.009600     -0.3662000      0.2253000    
 H    5.503700       1.396700       2.184900    
 H   -5.677100      -1.894200      0.9359000    
 H   -1.487300      -2.042900       1.941600    
 H   -1.749200       4.859000       1.202100    
 H   -3.258100       4.653900      0.3884000    
 H   -3.838400      -4.107100       2.178100    
 H   -3.192300      -3.026000       3.435100    
 H   -4.904000      -2.962100       3.026700    


%chk=000083767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083767

0 1
S -3.013066 1.677467 -1.396817
O 1.818615 -2.454239 0.244803
O 4.379734 0.666419 1.320667
O 4.680323 2.437610 -0.148615
O 2.772587 -1.489495 -1.709261
O -4.472061 1.709243 -2.122558
O -1.637859 1.816423 -2.241591
N 2.137191 -0.214159 0.153787
N -1.114683 2.940375 0.804822
N -3.195179 3.102167 -0.261439
N -2.240896 5.082865 0.555977
C 1.625135 2.218261 -0.212604
C 2.643889 1.052296 -0.370188
C 1.273539 2.554785 1.252536
C 1.903952 -3.885934 -0.274082
C 0.109685 3.564909 1.342032
C 1.036208 -4.023514 -1.540950
C 1.320196 -4.687436 0.902887
C 3.381131 -4.252208 -0.522514
C 3.992933 1.468633 0.237425
C 2.295223 -1.396370 -0.547789
C -2.104119 3.693825 0.402207
C -2.930737 0.131514 -0.326000
C -4.147858 -0.484851 0.002663
C -1.674877 -0.369776 0.041841
C -2.845508 -2.231761 1.160190
C -4.089727 -1.674864 0.760907
C -1.645762 -1.568500 0.787423
C -2.798487 -3.533034 1.940655
H 0.703695 1.949053 -0.760283
H 2.055827 3.110141 -0.706016
H 2.830973 0.895162 -1.448920
H 0.954020 1.643969 1.796558
H 2.157391 2.968245 1.778407
H -0.033123 3.845796 2.409458
H 0.389895 4.496236 0.791846
H 1.878447 -0.283668 1.138235
H 0.006100 -3.676280 -1.343770
H 1.456812 -3.435436 -2.371376
H 0.991729 -5.085935 -1.843634
H 0.270472 -4.400250 1.089899
H 1.904022 -4.508472 1.822328
H 1.349683 -5.767121 0.671495
H 3.802546 -3.649424 -1.341801
H 3.978828 -4.086922 0.391602
H 3.453675 -5.321138 -0.794779
H -4.096142 3.571113 -0.394469
H -5.097397 -0.062097 -0.340224
H -0.757063 0.151996 -0.240364
H 5.255563 0.992486 1.665288
H -5.022588 -2.179250 1.037960
H -0.674069 -1.987769 1.072760
H -1.629371 5.577040 1.200562
H -2.813625 5.632717 -0.080759
H -2.757102 -4.401387 1.254341
H -1.907585 -3.583957 2.590390
H -3.693836 -3.659700 2.573750


