%chk=000005476.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005476

1 1
 S   -2.881300      -1.128200       1.413900    
 S  -0.8294000       2.318200      -1.500700    
 O    3.855300      0.9915000      0.2188000    
 N    1.839200      -2.168500     -0.1335000    
 C    3.047000      -1.252600      0.1025000    
 C   0.6401000      -1.685300      0.7058000    
 C    2.705600      0.2207000     -0.1273000    
 C    1.521200      0.6844000      0.7235000    
 C   0.3402000     -0.2228000      0.5345000    
 C    2.209200      -3.586000      0.3084000    
 C    1.470700      -2.222800      -1.616000    
 C  -0.8793000      0.2313000      0.2138000    
 C   -1.951000     -0.7253000      5.4299999E-02
 C   -1.061200       1.655000      4.3099999E-02
 C    3.640600       2.375900     -1.3300000E-02
 C   -2.322500      -1.366100      -1.082300    
 C   -1.405200       2.562400      0.9912000    
 C   -3.425600      -2.234700     -0.8398000    
 C   -1.486600       3.872300      0.4366000    
 C   -3.829800      -2.202400      0.4767000    
 C   -1.197300       3.882900     -0.9101000    
 H    3.856800      -1.581600     -0.5600000    
 H    3.382700      -1.410400       1.135700    
 H   0.9134000      -1.858100       1.755400    
 H  -0.1745000      -2.375100      0.4743000    
 H    2.494400      0.3804000      -1.192100    
 H    1.303300       1.733300      0.5256000    
 H    1.808800      0.6586000       1.784300    
 H    1.344300      -4.236200      0.1465000    
 H    3.060700      -3.922100     -0.2907000    
 H    2.474600      -3.562400       1.369400    
 H    1.148000      -1.233900      -1.948500    
 H    2.351900      -2.545900      -2.177800    
 H   0.6549000      -2.941300      -1.740900    
 H    3.114100       2.836400      0.8275000    
 H    3.117300       2.562500     -0.9568000    
 H    4.621900       2.856300     -7.5000003E-02
 H   -1.847600      -1.239400      -2.047100    
 H   -1.593000       2.328800       2.031600    
 H   -3.898100      -2.852200      -1.592500    
 H   -1.743800       4.761700      0.9970000    
 H   -4.636600      -2.758500      0.9330000    
 H   -1.184000       4.734600      -1.575500    


%chk=000005476-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005476

1 1
S -2.323542 -1.863749 1.704146
S 0.036375 2.439432 -1.248043
O 4.130441 0.827404 0.498568
N 1.984647 -2.148012 -0.244446
C 3.199055 -1.247376 0.028452
C 0.818624 -1.780358 0.756905
C 2.870575 0.260459 0.026738
C 1.669676 0.570110 0.956724
C 0.478411 -0.318470 0.637180
C 2.388745 -3.598920 -0.011893
C 1.499830 -1.987798 -1.680779
C -0.790665 0.130126 0.282331
C -1.982340 -0.745154 0.300137
C -1.073338 1.519048 -0.125175
C 4.244084 2.285954 0.329360
C -3.040720 -0.793766 -0.608090
C -2.205757 2.287458 0.147311
C -4.086560 -1.715086 -0.255066
C -2.210342 3.584694 -0.471338
C -3.862977 -2.370670 0.946569
C -1.093515 3.827750 -1.255814
H 3.972762 -1.479295 -0.722022
H 3.584956 -1.511453 1.028752
H 1.219053 -2.049514 1.753191
H -0.014685 -2.453683 0.505150
H 2.652867 0.625518 -1.001947
H 1.408555 1.637310 0.906255
H 2.004489 0.360501 1.995583
H 1.520677 -4.249914 -0.197830
H 3.207333 -3.862022 -0.699830
H 2.726597 -3.716809 1.029010
H 1.121438 -0.966738 -1.825872
H 2.339786 -2.185850 -2.364495
H 0.685823 -2.706423 -1.862089
H 3.552295 2.829367 1.000281
H 4.051750 2.580262 -0.721859
H 5.281697 2.530992 0.598736
H -3.061503 -0.177781 -1.510611
H -3.011647 1.925264 0.790057
H -4.977645 -1.881071 -0.864063
H -3.014179 4.312546 -0.343518
H -4.489482 -3.098697 1.459458
H -0.842244 4.709813 -1.842614


