%chk=000039226.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039226

0 1
 S   4.2700000E-02  -1.374500       2.229600    
 S   -3.959600      0.6574000      0.5165000    
 O    1.245900      -1.731200      -2.246800    
 O   -1.830900      -2.426800      -2.598200    
 O    4.154500      -1.296500      -1.135400    
 O    5.902400      0.2528000      0.3259000    
 O   -2.341400     -0.2298000      -2.220500    
 O    6.210400      -1.089500       2.187000    
 N  -0.1457000      -1.949300     -0.3555000    
 N    2.665800      -1.232000      0.6450000    
 N   -6.420700       1.916300      0.4021000    
 N   -6.577400     -0.2466000      0.3861000    
 N   -7.734300       1.658500      0.3364000    
 N   -7.824100      0.3341000      0.3264000    
 C   0.4203000      -2.496500      0.8640000    
 C    1.798600      -2.318300      0.1904000    
 C   0.9873000      -1.971600      -1.090700    
 C   -1.448800      -1.591600     -0.4887000    
 C   -2.255000      -1.443100      0.5893000    
 C   -1.761900      -1.560000       2.029700    
 C   -3.730100      -1.128300      0.5195000    
 C    3.786600     -0.8085000     -6.8700001E-02
 C   -1.927400      -1.309900      -1.850300    
 C    4.512400      0.3508000      0.5991000    
 C    4.009900       1.685400      0.1008000    
 C   -5.724100      0.7504000      0.4317000    
 C    4.608200       2.286600      -1.006700    
 C    2.947300       2.316500      0.7477000    
 C    4.144200       3.518800      -1.467100    
 C    2.483200       3.548700      0.2871000    
 C    6.626100     -0.4986000       1.202700    
 C    3.081700       4.149800     -0.8203000    
 C   -5.946100       3.276600      0.4316000    
 H   0.1401000      -3.543200       1.032200    
 H    2.355400      -3.258600      9.9600002E-02
 H   -2.215800     -0.7820000       2.652000    
 H   -2.065000      -2.530300       2.438200    
 H    2.448500     -0.7544000       1.516300    
 H   -4.257600      -1.581600       1.366800    
 H   -4.172700      -1.556100     -0.3870000    
 H    4.348500      0.3182000       1.684700    
 H   -2.140800      -2.283200      -3.517800    
 H    5.428400       1.811000      -1.537600    
 H    2.470900       1.858900       1.610600    
 H    4.607700       3.985500      -2.331300    
 H    1.655400       4.039700      0.7902000    
 H    7.678600     -0.4945000      0.8803000    
 H    2.719600       5.108700      -1.179400    
 H   -5.391300       3.431300       1.360200    
 H   -6.797500       3.961400      0.3931000    
 H   -5.303300       3.439600     -0.4368000    


%chk=000039226-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039226

0 1
S -0.527801 -1.154339 1.576630
S -5.205002 -0.023545 -0.304303
O 0.404633 0.197066 -2.616472
O -1.736421 -1.672975 -3.630080
O 4.159027 -1.350832 -0.051487
O 5.227200 0.326351 1.979083
O -3.818599 -0.956599 -2.889707
O 3.644764 -0.732335 3.341779
N -0.649814 -1.487002 -1.180457
N 2.123918 -0.229912 0.134096
N -6.328382 1.217441 1.938953
N -4.990553 -0.474779 2.494405
N -6.331637 1.139685 3.354988
N -5.524713 0.112129 3.663647
C 0.147273 -1.929038 -0.013234
C 1.393791 -1.199994 -0.643288
C 0.385277 -0.651369 -1.716140
C -2.055661 -1.493037 -1.273438
C -2.838939 -1.657174 -0.143672
C -2.276163 -1.818372 1.258062
C -4.340040 -1.756654 -0.215566
C 3.485443 -0.367843 0.363109
C -2.645041 -1.330406 -2.633801
C 4.121129 0.834981 1.108161
C 4.730608 1.837247 0.147493
C -5.508714 0.229606 1.447033
C 5.744919 1.430479 -0.756125
C 4.281283 3.179394 0.142177
C 6.303619 2.365232 -1.652518
C 4.837962 4.112332 -0.761593
C 4.826112 -0.460919 3.051400
C 5.850793 3.706409 -1.659772
C -7.113024 2.234009 1.236968
H 0.206863 -3.020446 0.108808
H 2.128069 -1.912175 -1.058333
H -2.936980 -1.300346 1.978943
H -2.274177 -2.888808 1.539809
H 1.612292 0.553223 0.546798
H -4.758427 -2.235701 0.682719
H -4.708235 -2.238775 -1.131003
H 3.364726 1.311988 1.759817
H -2.129437 -1.475923 -4.522506
H 6.084661 0.389432 -0.749001
H 3.504152 3.499866 0.847464
H 7.088536 2.049499 -2.348380
H 4.486121 5.149647 -0.761827
H 5.726893 -0.789912 3.600413
H 6.284477 4.428754 -2.360246
H -6.452746 2.977450 0.758580
H -7.749725 2.736391 1.979236
H -7.745211 1.761097 0.466379


