%chk=000078627.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078627

0 1
 S    2.299700       3.995700      0.7748000    
 S   -2.928100       1.207000      -1.834200    
 O    2.714700      -2.718900      0.3142000    
 O    6.574800      0.9037000     -0.4064000    
 O    2.367300       4.617300     -0.7338000    
 O   0.9138000       4.068700       1.207000    
 O    3.361000       4.597100       1.563500    
 O   -3.623800       2.464400      -1.057400    
 O   -1.770700       1.729300      -2.542500    
 O   -3.967600      0.4773000      -2.540300    
 O   -5.464500      -1.908100       1.723000    
 N   0.9166000     -0.9028000      0.8403000    
 N    4.990200       2.892100      7.5700000E-02
 N   -4.610200     -0.4731000      6.8599999E-02
 C    3.283300     -0.4181000      0.3048000    
 C    4.291400      0.5296000      0.1160000    
 C    1.987600     -2.9000000E-03  0.6350000    
 C    4.003800       1.892500      0.2571000    
 C    2.711200       2.301800      0.5859000    
 C    3.572800      -1.859300      0.1585000    
 C    4.944300      -2.283500     -0.1894000    
 C    5.952500      -1.335800     -0.3779000    
 C    5.662900      0.1054000     -0.2323000    
 C    1.705300       1.356200      0.7746000    
 C  -0.4707000     -0.7905000      0.6406000    
 C    5.231900      -3.646400     -0.3303000    
 C    7.248300      -1.751000     -0.7074000    
 C  -0.9701000      4.1299999E-02 -0.3646000    
 C   -2.346400      0.1526000     -0.5624000    
 C   -1.356000      -1.510000       1.447000    
 C   -3.227500     -0.5671000      0.2446000    
 C    6.524600      -4.055800     -0.6586000    
 C    7.530500      -3.110200     -0.8471000    
 C   -2.732300      -1.398300       1.249400    
 C   -5.616300      -1.125200      0.7914000    
 C   -7.005600     -0.8410000      0.3454000    
 C   -7.982200      -1.789300      0.5661000    
 C   -7.272100      0.3618000     -0.2740000    
 C   -9.285800      -1.522200      0.1480000    
 C   -8.575900      0.6289000     -0.6919000    
 C   -9.582700     -0.3130000     -0.4809000    
 H   0.7086000       1.676100       1.062200    
 H    1.199800      -1.787300       1.251400    
 H    4.467100      -4.405300     -0.1893000    
 H    8.052100      -1.035800     -0.8600000    
 H  -0.2800000      0.5791000      -1.007800    
 H    4.763800       3.873400      0.1506000    
 H    5.938000       2.637500     -0.1629000    
 H  -0.9814000      -2.160300       2.233800    
 H    6.747100      -5.113400     -0.7678000    
 H    8.536100      -3.431700      -1.102800    
 H   -3.338800      -1.989800       1.918700    
 H   -4.895900      0.1062000     -0.7123000    
 H    1.733500       4.227500      -1.380900    
 H   -3.021200       2.992300     -0.4825000    
 H   -7.767900      -2.738000       1.048800    
 H   -6.533000       1.142200     -0.4196000    
 H   -10.06980      -2.255900      0.3114000    
 H   -8.809800       1.574400      -1.172700    
 H   -10.59820     -0.1042000     -0.8045000    


%chk=000078627-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078627

0 1
S 1.262408 3.495400 0.130832
S -2.541268 1.602465 -1.271266
O 3.130052 -3.092586 0.496692
O 6.412213 1.268212 -0.394916
O 0.959279 3.542623 -1.645303
O -0.181057 3.272731 0.873725
O 2.193422 4.770626 0.451696
O -2.682510 2.697936 0.150326
O -1.217825 2.051704 -2.122734
O -4.015463 1.611114 -1.940543
O -5.545685 -2.124647 1.361453
N 1.022317 -1.587032 0.609974
N 4.404170 2.897179 -0.202528
N -4.558212 -0.534254 -0.052135
C 3.331048 -0.694582 0.299955
C 4.182426 0.453437 0.088244
C 1.924989 -0.522375 0.529673
C 3.638798 1.799589 0.054944
C 2.234059 1.890279 0.342772
C 3.886821 -2.063996 0.284384
C 5.333081 -2.242084 0.034430
C 6.174185 -1.110869 -0.173527
C 5.623370 0.269907 -0.164674
C 1.434289 0.810925 0.653122
C -0.367072 -1.428439 0.382811
C 5.886495 -3.548393 0.010424
C 7.560058 -1.301474 -0.404014
C -0.828204 -0.389741 -0.463318
C -2.188422 -0.088129 -0.513812
C -1.349124 -2.246555 1.006539
C -3.205339 -0.875017 0.096819
C 7.262859 -3.727759 -0.220533
C 8.101694 -2.600803 -0.427747
C -2.725072 -2.004296 0.836293
C -5.663443 -1.125749 0.587512
C -6.995518 -0.502734 0.277855
C -8.146558 -1.223956 0.691957
C -7.157118 0.750518 -0.375334
C -9.436356 -0.713765 0.447040
C -8.451271 1.258781 -0.617446
C -9.592659 0.529098 -0.211737
H 0.409167 0.995491 0.980015
H 1.489564 -2.517677 0.678946
H 5.216765 -4.397646 0.175170
H 8.183423 -0.416664 -0.562655
H -0.135135 0.198556 -1.069311
H 4.002790 3.838240 -0.137929
H 5.408106 2.712306 -0.379135
H -1.032054 -3.074071 1.650119
H 7.688249 -4.736538 -0.240653
H 9.172629 -2.743293 -0.606630
H -3.469886 -2.641098 1.317610
H -4.751065 0.215491 -0.733499
H 0.071232 3.050963 -1.846157
H -1.736566 3.022710 0.417888
H -7.999012 -2.178927 1.206485
H -6.299345 1.360762 -0.682696
H -10.317313 -1.280085 0.767399
H -8.566599 2.226599 -1.116480
H -10.594708 0.928794 -0.402491


