%chk=000084008.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084008

0 1
 S    8.970500      -1.396100      -1.758300    
 O   -4.605500      -3.011500      0.1657000    
 N   0.2950000     -3.6100000E-02 -0.3277000    
 N   -3.864000     -0.7673000     -1.5500000E-02
 N    8.093600      0.2013000      0.3338000    
 C   -2.447800      -1.026600     -8.9199997E-02
 C   -1.871700     -0.5306000      -1.415200    
 C   -1.708100     -0.3802000       1.082500    
 C  -0.3531000     -0.7084000      -1.462300    
 C  -0.1950000     -0.5642000      0.9530000    
 C    1.748800     -0.1728000     -0.4148000    
 C    2.441500      0.6326000      0.6851000    
 C   -4.322000      0.6193000     -6.9799997E-02
 C   -4.839700      -1.801600      0.1079000    
 C    3.942300      0.5183000      0.5930000    
 C   -6.288300      -1.322000      0.1220000    
 C   -4.444100       1.290700       1.110100    
 C   -4.594600       1.146300      -1.296800    
 C   -7.285300      -2.461300      0.2702000    
 C    4.591200     -0.4996000       1.275200    
 C    4.648300       1.432600     -0.1741000    
 C   -4.880400       2.614600       1.058000    
 C   -5.030700       2.470200      -1.349000    
 C   -5.173700       3.204300     -0.1715000    
 C    5.979300     -0.6057000       1.188200    
 C    6.036400       1.326300     -0.2610000    
 C    6.701900      0.3073000      0.4201000    
 C    8.455200     -0.4801000     -0.5597000    
 H   -2.291600      -2.111600     -3.3900000E-02
 H   -2.332800      -1.066600      -2.253600    
 H   -2.070300      0.5356000      -1.570500    
 H   -1.894900      0.6983000       1.133900    
 H   -2.054100     -0.8092000       2.030800    
 H   1.0700000E-02 -0.2817000      -2.405200    
 H  -0.1086000      -1.778800      -1.474300    
 H   5.9900001E-02  -1.626100       1.065300    
 H   0.2288000     -3.0999999E-02   1.807600    
 H    2.091300      0.2017000      -1.388500    
 H    2.048700      -1.228200     -0.3605000    
 H    2.168400      0.3001000       1.691500    
 H    2.148900       1.689500      0.6270000    
 H   -6.439100     -0.6365000      0.9613000    
 H   -6.508200     -0.8019000     -0.8154000    
 H   -4.229100      0.8317000       2.069300    
 H   -4.497100      0.5750000      -2.213900    
 H   -7.198800      -3.170700     -0.5596000    
 H   -7.118700      -3.011100       1.202400    
 H   -8.308300      -2.072700      0.2811000    
 H    4.037700      -1.217200       1.874000    
 H    4.138700       2.228600     -0.7096000    
 H   -4.994700       3.185200       1.975000    
 H   -5.262100       2.928400      -2.306200    
 H   -5.514800       4.234600     -0.2120000    
 H    6.487300      -1.403000       1.724800    
 H    6.589000       2.044700     -0.8612000    


%chk=000084008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084008

0 1
S 10.982735 -0.389519 -0.558035
O -4.521651 -2.913774 0.090289
N 0.280839 -0.221016 -0.201750
N -4.044298 -0.631430 0.011387
N 8.193183 -0.054863 -0.157361
C -2.576558 -0.917652 -0.025008
C -1.916850 -0.489861 -1.356338
C -1.812963 -0.285258 1.160113
C -0.418538 -0.858508 -1.347771
C -0.317111 -0.656403 1.086174
C 1.746466 -0.423231 -0.259824
C 2.528988 0.591486 0.621370
C -4.502018 0.742993 -0.020438
C -4.939055 -1.714690 0.065242
C 4.029864 0.445729 0.440946
C -6.436020 -1.371683 0.091394
C -4.722834 1.448086 1.188739
C -4.737039 1.389944 -1.259088
C -7.318556 -2.632169 0.123457
C 4.767995 -0.504424 1.194971
C 4.728863 1.221455 -0.521087
C -5.175488 2.786041 1.159148
C -5.188382 2.728611 -1.287278
C -5.409447 3.429600 -0.078705
C 6.151969 -0.680145 1.004364
C 6.112583 1.063657 -0.728409
C 6.834485 0.106279 0.036181
C 9.378860 -0.197698 -0.328538
H -2.520479 -2.020323 0.059700
H -2.416707 -0.995844 -2.204043
H -2.012396 0.603626 -1.495325
H -1.908890 0.816396 1.133365
H -2.234540 -0.648014 2.116954
H 0.056351 -0.510165 -2.283758
H -0.316702 -1.975568 -1.316418
H -0.204007 -1.765169 1.223449
H 0.219548 -0.166668 1.918167
H 2.066429 -0.286030 -1.310339
H 2.041424 -1.464382 0.032031
H 2.264073 0.439456 1.684429
H 2.192552 1.606187 0.341401
H -6.644450 -0.729974 0.969726
H -6.680514 -0.748523 -0.790904
H -4.541958 0.941029 2.142892
H -4.571566 0.837718 -2.190515
H -7.132663 -3.265829 -0.760074
H -7.097385 -3.245644 1.013025
H -8.387432 -2.351682 0.141397
H 4.252655 -1.111443 1.948828
H 4.181736 1.965442 -1.112208
H -5.345794 3.323834 2.098414
H -5.369388 3.221544 -2.248880
H -5.761122 4.466922 -0.101094
H 6.713367 -1.412282 1.593306
H 6.644035 1.670629 -1.468167


