%chk=000081300.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081300

0 1
 S    2.706500       1.671600       1.336800    
 S    2.491300      -3.618500     -0.7931000    
 S   -4.798300     -0.7096000      1.2100000E-02
 O  -0.8370000       1.466300       2.288300    
 O    2.916700       2.772200       2.258900    
 O    3.847600      0.9810000      0.7674000    
 O    2.982900      -2.995200      -2.222300    
 O   -4.991600      0.1860000      -1.342000    
 O    3.664600      -3.689100      6.5399997E-02
 O    1.700100      -4.807800      -1.067400    
 O   -5.122800      -2.084600     -0.3383000    
 O   -5.491600     -3.7999999E-02   1.100400    
 N    1.630100      0.5411000       2.058400    
 C  -0.3456000     -0.5101000      0.9496000    
 C    1.030000     -0.4625000       1.228300    
 C  -0.8479000      -1.539100      0.1178000    
 C    1.404000      -2.427400     -0.1233000    
 C    1.898000      -1.415500      0.6947000    
 C   4.0100001E-02  -2.490100     -0.4107000    
 C   -1.233600      0.4409000       1.478000    
 C   -2.223600      -1.586700     -0.1611000    
 C   -3.091400     -0.6334000      0.3724000    
 C   -2.597400      0.3784000       1.190300    
 C    1.733900       2.302100     -8.9999998E-04
 C   0.9348000       3.410800      0.2112000    
 C    1.793200       1.673100      -1.231100    
 C   0.2147000       3.287200      -2.091600    
 C   0.1686000       3.907600     -0.8433000    
 C    1.027100       2.170000      -2.285600    
 C  -0.6033000       3.819000      -3.219400    
 H    2.957200      -1.384900      0.9328000    
 H  -0.3464000      -3.275400      -1.057300    
 H    1.034500      0.8998000       2.815200    
 H   -2.608200      -2.373300     -0.8071000    
 H   -3.269900       1.127800       1.600200    
 H   0.8784000       3.902400       1.177400    
 H    2.420000      0.8042000      -1.404500    
 H  -0.4634000       4.776300     -0.6786000    
 H    1.070200       1.676800      -3.253000    
 H   -1.603700       2.011500       2.533500    
 H  -0.7445000       4.901400      -3.129400    
 H  -0.1130000       3.639100      -4.182200    
 H   -1.585800       3.336800      -3.230500    
 H    3.468800      -2.138900      -2.165300    
 H   -4.505500     -0.1383000      -2.136300    


%chk=000081300-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081300

0 1
S 2.566617 1.820987 1.542726
S 2.388894 -3.042951 -1.324277
S -5.294954 -1.664727 0.711437
O -1.354788 1.083103 2.795742
O 2.503777 3.003735 2.648640
O 3.869438 0.886426 1.321423
O 2.982937 -1.538258 -2.272871
O -5.602667 -0.515537 -0.714068
O 3.636813 -3.552700 -0.432904
O 1.621398 -4.059446 -2.317245
O -5.500415 -3.185717 0.206879
O -6.080028 -1.100811 2.009389
N 1.159057 0.699805 2.100031
C -0.742860 -0.622146 1.169959
C 0.682211 -0.335604 1.296205
C -1.172245 -1.679922 0.268797
C 1.122852 -2.093188 -0.313676
C 1.611133 -1.128391 0.582018
C -0.213615 -2.402077 -0.510338
C -1.766865 0.074527 1.907822
C -2.564786 -1.991580 0.125305
C -3.474343 -1.261232 0.867441
C -3.124864 -0.226120 1.763354
C 2.013684 2.499321 -0.130286
C 1.360656 3.743462 -0.129413
C 2.274279 1.751435 -1.291498
C 1.157601 3.540619 -2.580606
C 0.941073 4.260020 -1.373777
C 1.829139 2.290632 -2.519193
C 0.666748 4.091674 -3.905730
H 2.684640 -0.974220 0.732343
H -0.527079 -3.166092 -1.228001
H 0.480528 1.241294 2.659196
H -2.888135 -2.797083 -0.540945
H -3.904681 0.294358 2.331029
H 1.214255 4.295037 0.805006
H 2.806025 0.795171 -1.264561
H 0.443203 5.235733 -1.407673
H 2.012907 1.725174 -3.439288
H -2.110725 1.474541 3.297744
H 0.653118 5.195180 -3.907176
H 1.297639 3.753450 -4.745389
H -0.365760 3.749577 -4.112614
H 3.860162 -1.790210 -2.684462
H -6.563175 -0.612250 -0.981694


