%chk=000064278.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064278

0 1
 S    3.323900     -0.6560000     -0.5788000    
 S    4.762100      -1.954700      0.2201000    
 O   -1.642300       1.658300     -0.2189000    
 O    4.382400      -3.411300     -0.4054000    
 O    6.049000      -1.559200     -0.3192000    
 O    4.543200      -2.013400       1.652500    
 N    1.770800       2.177800      0.3757000    
 N    3.186100       2.637700      -1.514000    
 C   -2.405800      0.4628000     -0.1481000    
 C   -2.345100      -1.994800      0.4064000    
 C   -3.777600      -1.163900      -1.498000    
 C   -4.420500     -0.6417000      0.8869000    
 C   -1.523200     -0.6971000      0.3438000    
 C   -2.946100      0.1281000      -1.550100    
 C   -3.585800      0.6479000      0.8228000    
 C   -2.888300      -2.316000     -0.9975000    
 C   -3.527000      -1.797100       1.372300    
 C   -4.950700     -0.9701000     -0.5203000    
 C   -1.116800       2.018800       1.051900    
 C  -0.3266000       3.313600      0.9063000    
 C   0.8233000       3.194300     -8.4100001E-02
 C    2.824200       1.999000     -0.3488000    
 C    3.790700      0.9369000      0.1444000    
 H   -1.713700      -2.819200      0.7561000    
 H   -4.161900      -1.398700      -2.496800    
 H   -5.261100     -0.5074000       1.576900    
 H   -1.123300     -0.5361000       1.349300    
 H  -0.6534000     -0.8196000     -0.3144000    
 H   -2.115000      2.1600001E-02  -2.259300    
 H   -3.553900      0.9603000      -1.928300    
 H   -4.206700       1.497200      0.5105000    
 H   -3.267800      0.8619000       1.847600    
 H   -3.464400      -3.249200     -0.9714000    
 H   -2.055200      -2.474900      -1.693300    
 H   -4.114200      -2.721200       1.438100    
 H   -3.154500      -1.584500       2.381900    
 H   -5.601400     -0.1605000     -0.8730000    
 H   -5.563300      -1.879500     -0.4863000    
 H   -1.903700       2.239200       1.775800    
 H  -0.4400000       1.268600       1.463000    
 H   5.7300001E-02   3.614500       1.888400    
 H  -0.9972000       4.107900      0.5565000    
 H    1.319400       4.170500     -0.1501000    
 H   0.4373000       2.940300      -1.078500    
 H    3.745900      0.8733000       1.236200    
 H    4.813200       1.193500     -0.1485000    
 H    2.610100       3.360000      -1.931600    
 H    4.043300       2.402700      -2.003600    
 H    3.471700      -3.731900     -0.2053000    


%chk=000064278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064278

0 1
S 2.606516 -1.366628 1.225054
S 4.464524 -2.159260 -0.255413
O -2.006539 2.116633 -0.214632
O 5.773030 -2.177877 1.081929
O 4.336487 -3.625613 -0.917579
O 4.865170 -0.916323 -1.241079
N 1.533130 2.046990 0.807036
N 3.014223 1.265111 -0.945654
C -2.568852 0.740170 -0.179674
C -2.057913 -1.743742 -0.248483
C -3.984816 -0.803966 -1.605098
C -4.147205 -0.904534 0.924550
C -1.434801 -0.322186 -0.154261
C -3.359669 0.614000 -1.501416
C -3.526400 0.519343 1.020379
C -2.855787 -1.870189 -1.575407
C -3.013732 -1.966728 0.955026
C -4.942579 -1.031851 -0.403578
C -1.387890 2.621147 1.026579
C -0.330313 3.651200 0.615428
C 0.841496 2.972369 -0.118086
C 2.534309 1.316346 0.350848
C 3.232756 0.413688 1.340859
H -1.246726 -2.497103 -0.225954
H -4.550119 -0.884621 -2.554050
H -4.828272 -1.061049 1.784198
H -0.833664 -0.230193 0.771352
H -0.754468 -0.141632 -1.009269
H -2.675860 0.805212 -2.350702
H -4.145209 1.393315 -1.526920
H -4.321488 1.290764 0.999962
H -2.979249 0.623774 1.977576
H -3.290812 -2.885923 -1.659853
H -2.177036 -1.730884 -2.440518
H -3.449232 -2.984702 0.909800
H -2.449924 -1.894488 1.906836
H -5.764924 -0.288844 -0.426851
H -5.404895 -2.036653 -0.472258
H -2.168612 3.083175 1.664597
H -0.896538 1.805937 1.592474
H 0.050032 4.160643 1.520920
H -0.795926 4.410873 -0.040300
H 1.543256 3.739175 -0.516213
H 0.415522 2.423028 -0.991105
H 2.995420 0.741144 2.366830
H 4.329289 0.391703 1.212615
H 2.552858 1.792385 -1.685436
H 3.754263 0.591008 -1.199877
H 6.654569 -2.375444 0.644618


