%chk=000011032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011032

0 1
 S  -0.5657000     -0.1391000      -1.566100    
 O  -0.8449000       1.137500      -2.197600    
 O  -0.6164000      -1.353700      -2.359000    
 O    5.519700      -1.008400      0.9205000    
 O    5.490900       1.253000       1.148000    
 N   -1.564600     -0.3259000     -0.1693000    
 C   -1.332800      -1.501100      0.6982000    
 C   -1.883800      0.8969000      0.6149000    
 C   -2.642300      -1.963400       1.328200    
 C   -3.190500       1.514500      0.1287000    
 C   -3.696200      -2.340400      0.2843000    
 C   -3.580400       2.764900      0.9207000    
 C    1.058100     -3.5700001E-02 -0.8668000    
 C   -5.010800      -2.734500      0.9399000    
 C   -4.918300       3.320600      0.4575000    
 C    1.563600       1.203700     -0.5204000    
 C    1.786100      -1.196400     -0.6824000    
 C    2.842700       1.285300      3.0099999E-02
 C    3.065200      -1.115000     -0.1319000    
 C    3.593400      0.1259000      0.2243000    
 C    4.927000      0.2110000      0.7982000    
 H  -0.9269000      -2.330400      0.1090000    
 H  -0.6007000      -1.260500       1.477400    
 H   -1.074500       1.627500      0.5202000    
 H   -1.948300      0.6834000       1.687400    
 H   -2.435600      -2.835600       1.960900    
 H   -3.049400      -1.193600       1.993100    
 H   -3.995000      0.7744000      0.2145000    
 H   -3.116800       1.766900     -0.9354000    
 H   -3.330000      -3.178100     -0.3208000    
 H   -3.887500      -1.510200     -0.4028000    
 H   -2.807400       3.533100      0.8042000    
 H   -3.642400       2.524300       1.988300    
 H   -5.745300      -3.014000      0.1781000    
 H   -5.423500      -1.903600       1.520900    
 H   -4.874400      -3.589200       1.610000    
 H   -5.177100       4.214300       1.033900    
 H   -5.717400       2.585100      0.5941000    
 H   -4.882500       3.597300     -0.6010000    
 H   0.9965000       2.118000     -0.6639000    
 H    1.392100      -2.171500     -0.9506000    
 H    3.236200       2.261600      0.3009000    
 H    3.614800      -2.042400      2.7999999E-03
 H    6.418000     -0.9402000       1.308700    


%chk=000011032-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011032

0 1
S -0.394040 -0.261917 -1.695153
O -0.637930 1.125296 -2.511409
O -0.445015 -1.732015 -2.386243
O 5.774850 -0.942913 1.238859
O 5.723073 1.379043 1.180981
N -1.730856 -0.294612 -0.352493
C -1.516836 -1.452136 0.559860
C -1.923083 1.047110 0.265148
C -2.840531 -1.906754 1.220577
C -3.413497 1.460863 0.281520
C -3.909822 -2.379213 0.212429
C -3.606604 2.876960 0.871461
C 1.328478 -0.108605 -0.888212
C -5.210301 -2.836178 0.906389
C -5.089798 3.305370 0.894910
C 1.848739 1.180325 -0.672974
C 2.011187 -1.291081 -0.553905
C 3.118482 1.284485 -0.069815
C 3.281603 -1.173050 0.048603
C 3.830219 0.112138 0.296907
C 5.168457 0.282823 0.931556
H -1.133080 -2.286739 -0.057232
H -0.767563 -1.213653 1.350110
H -1.383972 1.795403 -0.349017
H -1.494101 1.068108 1.291777
H -2.585707 -2.736845 1.911764
H -3.246799 -1.092700 1.852762
H -4.008002 0.731672 0.863676
H -3.791907 1.426530 -0.757424
H -3.494189 -3.210228 -0.391875
H -4.121427 -1.561009 -0.500167
H -3.020547 3.604980 0.274548
H -3.195083 2.911086 1.901244
H -5.961013 -3.170553 0.167527
H -5.660643 -2.012991 1.493820
H -5.022010 -3.677939 1.599827
H -5.209548 4.320482 1.315446
H -5.694606 2.611380 1.508481
H -5.516120 3.309333 -0.125563
H 1.292141 2.064002 -1.000517
H 1.575549 -2.266739 -0.791304
H 3.577326 2.260476 0.117432
H 3.855137 -2.062592 0.321700
H 6.662289 -0.771100 1.653886


