%chk=000030187.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030187

0 1
 S   -1.674600      -2.359000      0.2459000    
 O   -1.962800      -3.219100     -0.8933000    
 O   -1.842400      -2.871200       1.599900    
 O   -5.758900       2.694600      -1.193100    
 O   -5.585800       2.975400      0.9773000    
 N   -5.301600       2.353900     -7.5199999E-02
 N    3.913700     -0.4850000     -0.4426000    
 N    3.189700       1.791700     -0.7010000    
 N    5.462600       1.126200     -0.7753000    
 N    7.465000       1.772700      0.2306000    
 N    5.669700       1.433200       1.600700    
 C  -3.0400001E-02  -1.808200      4.3200001E-02
 C   -2.753700     -0.9557000      0.1501000    
 C   0.5314000      -1.742900      -1.231900    
 C   0.7215000      -1.432700       1.156500    
 C   -3.257600     -0.5795000      -1.080300    
 C   -3.067100     -0.2704000       1.308400    
 C    1.845000      -1.302400      -1.393700    
 C    2.035000     -0.9922000      0.9947000    
 C   -4.107000      0.5243000      -1.155500    
 C   -3.916600      0.8334000       1.233000    
 C   -4.436600       1.230700      1.1000000E-03
 C    2.590900     -0.9290000     -0.2797000    
 C    4.132500      0.7878000     -0.6251000    
 C    6.137900       1.423500      0.3054000    
 H  -3.6699999E-02  -2.021800      -2.114800    
 H   0.3018000      -1.469700       2.157900    
 H   -3.006200      -1.113200      -1.991500    
 H   -2.665600     -0.5573000       2.275200    
 H    2.274400      -1.253100      -2.390700    
 H    2.613400     -0.7002000       1.867200    
 H   -4.491800      0.8061000      -2.132300    
 H   -4.150000       1.361200       2.154200    
 H    3.469500       2.754600     -0.8543000    
 H    2.196700       1.610700     -0.6069000    
 H    7.947900       1.808800     -0.6605000    
 H    7.999500       2.005500       1.060500    
 H    4.709700       1.196400       1.825900    
 H    6.276400       1.678200       2.375600    


%chk=000030187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030187

0 1
S -1.607961 -2.339386 0.258049
O -1.717236 -3.186244 -1.140574
O -1.817375 -2.998691 1.743287
O -6.307635 2.363523 -1.356793
O -6.388151 2.512597 0.917941
N -5.923994 2.010767 -0.176287
N 3.829530 0.395874 0.353338
N 3.572640 1.969902 -1.460043
N 5.658597 1.696723 -0.524442
N 7.849283 1.643761 0.224652
N 6.248531 0.268406 1.314339
C 0.043738 -1.448325 0.259095
C -2.926434 -0.966225 0.123076
C 0.694330 -1.241128 -0.969642
C 0.610025 -1.090095 1.496761
C -3.367012 -0.598322 -1.158865
C -3.446497 -0.430564 1.312738
C 1.946476 -0.597296 -0.962209
C 1.863130 -0.453180 1.492385
C -4.364436 0.393363 -1.259744
C -4.444101 0.561420 1.214788
C -4.875707 0.959600 -0.070409
C 2.552276 -0.174978 0.268982
C 4.333013 1.298986 -0.515200
C 6.553526 1.183873 0.345364
H 0.247230 -1.609247 -1.899528
H 0.092022 -1.329885 2.431440
H -2.959220 -1.098365 -2.043315
H -3.098025 -0.803670 2.281148
H 2.489967 -0.466671 -1.904068
H 2.340673 -0.158958 2.432117
H -4.752568 0.726537 -2.225469
H -4.890768 1.020409 2.100310
H 4.039889 2.686884 -2.009962
H 2.563482 1.856049 -1.509834
H 8.028862 2.326751 -0.506977
H 8.608057 1.314802 0.814322
H 5.226523 0.002351 1.301870
H 6.934120 -0.095047 1.972958


