%chk=000091352.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091352

0 1
 S    2.079900       2.018100     -2.6000000E-03
 O   -3.465400      -1.877200     -3.0000000E-03
 N    1.524600      -1.057400     -5.1000002E-03
 C   0.3961000     -0.2227000     -3.7000000E-03
 C   0.5057000       1.176800     -1.8000000E-03
 C   -2.031900     -1.3100000E-02 -9.9999997E-05
 C  -0.8835000     -0.8042000     -3.1000001E-03
 C    2.873700     -0.6701000     -2.2000000E-03
 C   -4.612300      0.2430000     -9.9999997E-05
 C    3.260400      0.6794000     -5.0000002E-04
 C   -3.346600     -0.6347000     -1.4000000E-03
 C   -1.917500       1.372300      2.2000000E-03
 C  -0.6554000       1.965400      1.3000000E-03
 C   -5.911300     -0.5626000      2.1199999E-02
 C    3.869100      -1.662300     -8.9999998E-04
 C    4.624000       1.012100      3.1999999E-03
 C   -7.130300      0.3448000     -1.1300000E-02
 C    5.221700      -1.322800      2.6000000E-03
 C    5.599000      1.5100000E-02  5.2999998E-03
 H  -0.9658000      -1.889700     -4.9000001E-03
 H   -4.595700      0.8653000     -0.9024000    
 H   -4.583800      0.8865000      0.8867000    
 H    1.344900      -2.055000     -6.8999999E-03
 H   -2.779400       2.031600      3.1999999E-03
 H   -5.946900      -1.188300      0.9209000    
 H   -5.943900      -1.241600     -0.8392000    
 H  -0.5913000       3.051700      2.6000000E-03
 H    3.592900      -2.714700     -2.4000001E-03
 H    4.944400       2.051800      4.8000002E-03
 H   -7.144300       1.014100      0.8548000    
 H   -8.047600     -0.2521000      5.9000002E-03
 H   -7.140100      0.9567000     -0.9190000    
 H    5.977800      -2.102300      3.8000001E-03
 H    6.651100      0.2841000      8.3999997E-03


%chk=000091352-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091352

0 1
S 2.147022 2.099758 -0.014053
O -3.446777 -1.904048 0.000563
N 1.534396 -1.035597 -0.002021
C 0.413284 -0.184539 -0.003886
C 0.533642 1.236466 -0.008226
C -2.048850 0.053647 -0.003054
C -0.880514 -0.750205 -0.001423
C 2.895370 -0.671131 0.000601
C -4.654439 0.217013 0.000654
C 3.325177 0.683175 -0.003178
C -3.382141 -0.636919 -0.000591
C -1.910457 1.465413 -0.007008
C -0.623793 2.042086 -0.009519
C -5.954693 -0.609221 0.004516
C 3.881420 -1.692674 0.007361
C 4.698014 0.996776 0.000087
C -7.210544 0.287375 0.003669
C 5.256174 -1.377321 0.010182
C 5.672854 -0.028503 0.006655
H -1.015350 -1.839069 0.001615
H -4.632681 0.887279 -0.884383
H -4.629082 0.890275 0.883250
H 1.335540 -2.036434 0.000492
H -2.788157 2.117587 -0.008286
H -5.958647 -1.274864 0.887499
H -5.960711 -1.279744 -0.874707
H -0.515156 3.132272 -0.012729
H 3.559306 -2.741649 0.010417
H 5.010677 2.047128 -0.002739
H -7.236752 0.943340 0.894795
H -8.133236 -0.320776 0.007640
H -7.240178 0.936895 -0.892053
H 5.995353 -2.185087 0.015254
H 6.736228 0.229296 0.008906


