%chk=000102521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102521

0 1
 S    5.165400     -0.4062000     -0.8599000    
 S    5.890100      -2.092100      0.1503000    
 O    7.213600      -2.526500     -0.6963000    
 O    6.323600      -1.657600       1.464400    
 O    4.902000      -3.143400      4.0000002E-03
 N    1.849100       1.604000      0.3239000    
 C   -1.044700       1.516100     -0.2714000    
 C  -0.2942000       2.763200      0.2069000    
 C   -2.512700       1.553000      0.1608000    
 C    1.181200       2.787200     -0.2260000    
 C   -3.255200      0.2904000     -0.2831000    
 C   -4.713800      0.3147000      0.1781000    
 C   -5.497900     -0.9419000     -0.2125000    
 C   -6.986800     -0.9390000      0.1471000    
 C    1.917700       4.044000      0.2353000    
 C    3.018900       1.262100     -0.4679000    
 C   -7.703300      -2.239700     -0.2162000    
 C    3.700300      3.2699998E-02  0.1199000    
 C   -9.153400      -2.220900      0.2427000    
 H  -0.9851000       1.447700      -1.364400    
 H  -0.5788000      0.6114000      0.1361000    
 H  -0.3608000       2.830600       1.301000    
 H  -0.7939000       3.656200     -0.1903000    
 H   -3.000700       2.437200     -0.2668000    
 H   -2.570500       1.646900       1.252100    
 H    1.192000       2.759500      -1.323900    
 H   -3.216200      0.2030000      -1.375500    
 H   -2.757500     -0.5949000      0.1306000    
 H   -4.751800      0.4311000       1.268200    
 H   -5.212300       1.192700     -0.2511000    
 H   -5.404000      -1.092600      -1.295600    
 H   -5.021600      -1.809600      0.2615000    
 H   -7.086600     -0.7600000       1.225000    
 H   -7.476900     -9.8399997E-02 -0.3591000    
 H    2.106100       1.758100       1.298100    
 H    1.965800       4.104200       1.328600    
 H    1.392800       4.938600     -0.1181000    
 H    2.938400       4.096800     -0.1549000    
 H    3.735700       2.090400     -0.4893000    
 H    2.716300       1.048200      -1.500900    
 H   -7.665300      -2.393400      -1.300700    
 H   -7.191200      -3.089000      0.2506000    
 H    4.016400      0.2223000       1.151500    
 H    3.014700     -0.8216000      0.1264000    
 H   -9.220300      -2.104600       1.329100    
 H   -9.702100      -1.397600     -0.2260000    
 H   -9.648900      -3.158100     -2.9500000E-02
 H    7.691500      -3.318700     -0.3555000    


%chk=000102521-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102521

0 1
S 4.288334 -1.561866 1.277132
S 4.633691 -0.960856 -1.154201
O 5.619671 0.658025 -0.996382
O 5.569474 -2.009017 -1.955396
O 3.197857 -0.551116 -1.795197
N 2.060410 1.946629 1.022413
C -0.652468 1.102991 -0.169081
C 0.117186 2.409707 -0.459829
C -2.184672 1.268596 -0.276085
C 1.657067 2.269935 -0.361907
C -2.961865 -0.031464 0.031722
C -4.494147 0.132343 -0.081887
C -5.275278 -1.162092 0.239433
C -6.807202 -0.997047 0.120864
C 2.379405 3.547199 -0.871883
C 3.234473 1.141065 1.298796
C -7.590341 -2.289027 0.449214
C 2.848081 -0.379334 1.413070
C -9.119550 -2.114645 0.325800
H -0.315993 0.318089 -0.878025
H -0.387434 0.741089 0.845165
H -0.219964 3.208904 0.236588
H -0.130917 2.765515 -1.479447
H -2.447441 1.618469 -1.296448
H -2.518015 2.067063 0.420438
H 1.977697 1.415588 -0.989220
H -2.626335 -0.831875 -0.660300
H -2.705045 -0.378167 1.054774
H -4.827931 0.940412 0.602792
H -4.751317 0.469697 -1.107872
H -4.940435 -1.971499 -0.442777
H -5.021322 -1.497897 1.266865
H -7.142720 -0.184454 0.799278
H -7.062734 -0.666910 -0.907963
H 1.677374 2.533593 1.766611
H 2.064112 4.436496 -0.293422
H 2.142741 3.726050 -1.936914
H 3.474938 3.438916 -0.778810
H 3.723817 1.456242 2.237902
H 3.979062 1.267108 0.488530
H -7.253467 -3.100630 -0.227802
H -7.335356 -2.617305 1.477667
H 2.431399 -0.570343 2.419316
H 2.087880 -0.652596 0.660346
H -9.485670 -1.330607 1.015554
H -9.401882 -1.814481 -0.701157
H -9.656309 -3.051575 0.563571
H 6.276242 0.681580 -1.754534


