%chk=000043708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043708

0 1
 S    2.007700      0.4809000      -1.486800    
 S   -2.717100      5.4099999E-02 -0.7280000    
 S    5.527900      -3.703700      -1.555500    
 O    1.955700       3.007000       2.415700    
 O   -1.278900       4.036100      0.7842000    
 O   -1.350400       2.115100       2.022900    
 O    5.990300       1.250100     -0.1570000    
 N    1.270700       2.339300      0.2603000    
 N    3.930300      0.9303000      0.8614000    
 N   -5.314900     -0.7118000     -0.9968000    
 N   -5.514600      -2.931800       1.992400    
 N    4.132200      -2.514100      0.2665000    
 N   -4.855600       1.142400      -2.023200    
 N   -6.466500     -0.3293000      -1.565900    
 N   -6.179700      0.8055000      -2.191900    
 N    3.035500      -4.293500     -0.8385000    
 C    2.286100       2.107900     -0.7508000    
 C    3.311900       2.173400      0.4019000    
 C    2.110400       2.630800       1.277400    
 C  -6.3199997E-02   2.235200      2.8200001E-02
 C  -0.5423000       1.624900      -1.081800    
 C   0.3476000      0.9209000      -2.103900    
 C   -2.004100       1.541000      -1.450500    
 C  -0.9637000       2.756800       1.067100    
 C    5.239000      0.5693000      0.5368000    
 C    5.625800     -0.7711000       1.135700    
 C    5.363200      -1.911400      0.2034000    
 C   -4.386400      0.1942000      -1.296400    
 C   -5.253100      -1.925500     -0.2223000    
 C   -5.562400      -1.677700       1.251300    
 C    6.256100      -2.401800     -0.7092000    
 C    4.104400      -3.481300     -0.6233000    
 C   -5.848900      -2.711900       3.400800    
 C   -4.192600      -3.550200       1.875800    
 H    2.371000       2.933000      -1.467900    
 H    4.048900       2.977000      0.2798000    
 H  -0.1129000     -1.8300001E-02  -2.426900    
 H   0.4567000       1.558300      -2.988400    
 H    3.386600      0.2837000       1.428600    
 H   -2.546700       2.419800      -1.086000    
 H   -2.121500       1.532900      -2.540300    
 H    6.691300     -0.7265000       1.392200    
 H    5.091200     -0.9299000       2.079900    
 H   -1.881400       4.424600       1.453800    
 H   -5.975800      -2.627800     -0.6573000    
 H   -4.259200      -2.347500     -0.3930000    
 H   -4.862800     -0.9408000       1.667900    
 H   -6.565700      -1.239100       1.332400    
 H    7.265400      -2.079300     -0.9224000    
 H   -5.871900      -3.662700       3.944900    
 H   -5.132600      -2.046700       3.896700    
 H   -6.849100      -2.274400       3.495200    
 H   -4.027300      -3.979000      0.8827000    
 H   -4.107800      -4.400400       2.564000    
 H   -3.380400      -2.852700       2.111100    
 H    3.055300      -5.029300      -1.537000    
 H    2.174900      -4.195300     -0.3101000    


%chk=000043708-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043708

0 1
S 1.672656 0.708425 -1.618459
S -2.951033 0.409680 0.664163
S 4.979718 -3.599160 -2.503927
O 2.497274 1.781841 2.690823
O 0.262488 3.783361 2.547342
O -1.770106 2.699201 2.262013
O 6.346867 1.914098 -0.002339
N 1.441912 2.416253 0.568732
N 4.300190 0.790400 0.132017
N -3.484448 -2.148842 -0.333595
N -6.382091 -2.761227 2.029919
N 4.247305 -1.775660 -0.696905
N -2.421660 -0.873838 -1.820659
N -3.285653 -2.945070 -1.487573
N -2.643634 -2.158799 -2.367267
N 2.405564 -3.061832 -1.510027
C 2.269076 2.223813 -0.640315
C 3.518986 1.984704 0.291226
C 2.491783 2.030269 1.479986
C 0.035447 2.383661 0.630130
C -0.714510 1.883113 -0.422426
C -0.103988 1.363010 -1.713114
C -2.219745 1.858019 -0.402284
C -0.597432 2.928116 1.866683
C 5.678771 0.837442 -0.008807
C 6.364388 -0.544505 -0.094420
C 5.637377 -1.609582 -0.888186
C -2.956995 -0.899266 -0.565296
C -4.211990 -2.675897 0.831740
C -5.713713 -2.288647 0.802564
C 6.213802 -2.474342 -1.794967
C 3.735321 -2.734754 -1.458123
C -7.801744 -3.120134 1.831032
C -6.191266 -1.860817 3.186764
H 2.293322 3.090404 -1.317370
H 4.211554 2.846833 0.297935
H -0.714874 0.519161 -2.086546
H -0.120283 2.157124 -2.483808
H 3.860019 -0.151417 0.023711
H -2.672529 2.729576 0.090581
H -2.639519 1.710237 -1.408832
H 7.371524 -0.377524 -0.506226
H 6.494661 -0.890875 0.951713
H -0.158722 4.068131 3.402412
H -4.113663 -3.771764 0.819011
H -3.724811 -2.294371 1.746265
H -5.810823 -1.184159 0.656048
H -6.177162 -2.777604 -0.072920
H 7.252086 -2.553806 -2.107193
H -8.195080 -3.581220 2.754665
H -8.452750 -2.245687 1.580988
H -7.891165 -3.861641 1.018120
H -5.118116 -1.668617 3.359883
H -6.594042 -2.339623 4.096584
H -6.699392 -0.872665 3.058207
H 2.051345 -3.778452 -2.136775
H 1.746098 -2.455377 -1.022997


