%chk=000002614.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002614

0 1
 S   0.8318000      0.2162000       1.352000    
 S   -3.630400      0.9342000     -0.2773000    
 O   0.7253000      -3.576800      -1.334100    
 O   -2.794700      -3.474500      7.9999998E-04
 O    4.725400      -1.513300       1.063100    
 O   -2.384700      -2.179300      -1.838800    
 O    6.276400     -0.4824000     -0.9692000    
 N  -4.6500001E-02  -2.054500      0.2931000    
 N    2.873600      -1.341300     -0.3266000    
 N   -6.058100       2.076600     -0.7339000    
 N   -6.054700      0.7110000      0.9507000    
 N   -7.313100       2.093800     -0.2636000    
 N   -7.305100       1.256400      0.7663000    
 C   0.8833000      -1.589800       1.306200    
 C    1.994000      -2.223100      0.4400000    
 C   0.8269000      -2.818600     -0.3981000    
 C   -1.355700      -1.696700      0.2490000    
 C   -1.828100     -0.6524000      0.9704000    
 C  -0.9358000      0.2654000       1.803200    
 C   -3.280200     -0.2442000       1.038000    
 C    4.184000      -1.058400      5.7599999E-02
 C   -2.223400      -2.452700     -0.6665000    
 C    4.901200     -0.1329000     -0.9152000    
 C    4.781500       1.314400     -0.4993000    
 C   -5.347100       1.240400      1.9800000E-02
 C    3.713900       2.066900     -0.9614000    
 C    5.741100       1.861600      0.3369000    
 C    3.603100       3.403200     -0.5773000    
 C    5.630100       3.198000      0.7211000    
 C    4.561100       3.968700      0.2640000    
 C   -5.695300       2.884000      -1.871100    
 H   0.7409000      -2.082600       2.275300    
 H    2.555200      -3.008100      0.9623000    
 H   -1.037600      5.1000002E-03   2.862600    
 H   -1.247900       1.308300       1.686800    
 H    2.523200     -0.9008000      -1.174100    
 H   -3.933300      -1.116800      0.9293000    
 H   -3.506900      0.1939000       2.016800    
 H    4.503900     -0.2622000      -1.929000    
 H   -3.385100      -4.006700     -0.5741000    
 H    6.336300      -1.375400      -1.349700    
 H    2.962100       1.635700      -1.616100    
 H    6.574800       1.279600      0.7183000    
 H    2.770200       4.003000     -0.9324000    
 H    6.374000       3.637800       1.379100    
 H    4.474100       5.008800      0.5641000    
 H   -4.910700       3.581100      -1.567100    
 H   -5.342400       2.224700      -2.667700    
 H   -6.569600       3.442400      -2.216300    


%chk=000002614-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002614

0 1
S 0.436014 0.154668 1.349878
S -4.340667 0.042976 -0.583428
O 0.826134 -2.797089 -2.026060
O -1.612946 -4.227126 -0.977326
O 4.789335 -2.125940 0.613664
O -3.478083 -2.856211 -1.176649
O 6.469869 -0.143321 0.015142
N -0.144436 -2.292942 0.168760
N 2.899367 -1.037574 -0.215306
N -4.919337 2.778011 -0.452268
N -3.724568 2.085192 1.295217
N -4.698644 3.912874 0.370082
N -3.981636 3.469547 1.414387
C 0.780762 -1.697094 1.159079
C 1.975748 -2.065116 0.201066
C 0.866318 -2.489193 -0.828482
C -1.542476 -2.117591 0.131935
C -2.150365 -1.122121 0.877859
C -1.390791 -0.146491 1.760898
C -3.646464 -0.956003 0.927646
C 4.255628 -1.151055 -0.001934
C -2.319313 -3.054465 -0.729854
C 5.161207 -0.031285 -0.601352
C 4.582211 1.366137 -0.413884
C -4.319355 1.688868 0.132964
C 3.786844 1.950051 -1.431491
C 4.801160 2.074200 0.792578
C 3.193150 3.218762 -1.235429
C 4.213353 3.342882 0.984708
C 3.401193 3.915449 -0.023649
C -5.681177 2.886002 -1.697205
H 0.757084 -2.177361 2.148267
H 2.566642 -2.917092 0.578858
H -1.438405 -0.480639 2.815189
H -1.882177 0.844215 1.717026
H 2.536876 -0.174434 -0.632935
H -4.199774 -1.900917 0.844188
H -3.963250 -0.384531 1.813201
H 5.232889 -0.251456 -1.690694
H -2.120032 -4.794203 -1.618394
H 6.510189 -1.052662 0.431966
H 3.653611 1.429613 -2.389726
H 5.451411 1.632195 1.553999
H 2.582169 3.664121 -2.028229
H 4.388424 3.888202 1.918846
H 2.944801 4.899441 0.130368
H -5.037045 2.677194 -2.568324
H -6.526250 2.176728 -1.692294
H -6.064199 3.914285 -1.764957


