%chk=000086304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086304

0 1
 S   -2.835900      0.4156000      -1.718000    
 O   -2.691700     -0.5406000      -2.805700    
 O   -3.785200       1.511500      -1.840200    
 O    4.044100      -2.245900      0.2290000    
 O   -2.294900       2.168000       1.351400    
 O  -0.1523000     -0.9396000      -1.016700    
 O   -4.487000       2.400700      0.7970000    
 N   -1.294700       1.058900      -1.335800    
 N   0.9381000       1.096100     -0.6712000    
 N    3.101800       1.691700     -1.6899999E-02
 N    2.470300     -0.6134000     -0.2297000    
 N    4.699800     -3.7599999E-02  0.4453000    
 N    5.287200       2.223900      0.6457000    
 C   -3.227000     -0.4553000     -0.2503000    
 C   -3.520400      0.2166000      0.9365000    
 C   -3.241700      -1.849800     -0.2841000    
 C   -3.828700     -0.5060000       2.089100    
 C   -3.550200      -2.572300      0.8685000    
 C   -3.843600      -1.900500       2.055000    
 C  -0.1344000      0.2851000     -0.9997000    
 C   -3.514800       1.671600       1.011000    
 C    2.240700      0.7035000     -0.2854000    
 C    4.315900       1.245100      0.3428000    
 C    3.725400     -0.9108000      0.1439000    
 C    3.010500      -3.167200     -8.7700002E-02
 C    3.547600      -4.576200      4.6500001E-02
 C    5.021100       3.626800      0.5797000    
 H   -3.015300      -2.402800      -1.190900    
 H   -1.234200       2.079200      -1.227300    
 H   -4.059100      5.7000001E-03   3.020100    
 H   -3.561000      -3.658000      0.8427000    
 H   -4.083300      -2.463100       2.952500    
 H   0.7916000       2.101200     -0.7048000    
 H    2.668100      -3.014600      -1.118500    
 H    2.166000      -3.040300      0.6004000    
 H    6.205200       1.892700      0.9178000    
 H   -2.299300       3.147900       1.397200    
 H    2.775600      -5.313500     -0.1907000    
 H    4.400200      -4.729500     -0.6234000    
 H    3.907100      -4.756600       1.065000    
 H    4.223900       3.912900       1.273600    
 H    5.919000       4.188300      0.8559000    
 H    4.738300       3.930100     -0.4336000    


%chk=000086304-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086304

0 1
S -2.816528 1.071559 -1.390935
O -2.696134 0.461260 -2.880015
O -3.733703 2.376526 -1.115713
O 4.028092 -2.142739 0.666864
O -2.796414 1.978811 1.579655
O -0.177028 -0.543050 -1.217065
O -4.750419 1.406253 2.686092
N -1.132882 1.579062 -0.848029
N 1.158488 1.368077 -0.698075
N 3.419932 1.766600 -0.406287
N 2.524903 -0.459415 0.005174
N 4.906701 -0.044418 0.307211
N 5.726250 2.108652 -0.067937
C -3.311305 -0.369017 -0.223941
C -3.813894 -0.165685 1.081841
C -3.244367 -1.627499 -0.836999
C -4.307117 -1.310411 1.765925
C -3.712911 -2.752357 -0.120937
C -4.254409 -2.588667 1.173983
C -0.049262 0.669727 -0.933834
C -3.878137 1.123665 1.837180
C 2.412580 0.843713 -0.356970
C 4.654027 1.262872 -0.055309
C 3.808253 -0.838357 0.313464
C 2.843524 -3.062470 0.657421
C 3.388357 -4.447419 0.987478
C 5.641272 3.523178 -0.441027
H -2.843353 -1.711743 -1.851514
H -1.184809 2.306546 -0.124961
H -4.725221 -1.167979 2.767470
H -3.661872 -3.744262 -0.580535
H -4.634663 -3.455524 1.723687
H 1.177122 2.373909 -0.888682
H 2.364974 -3.009908 -0.335773
H 2.116057 -2.699742 1.405140
H 6.617866 1.686465 0.193071
H -2.952725 2.834482 2.064089
H 2.559236 -5.178441 1.001192
H 4.125619 -4.770635 0.232991
H 3.877311 -4.455090 1.976648
H 4.984312 4.081495 0.250077
H 6.652412 3.960079 -0.405865
H 5.232666 3.641396 -1.460250


