%chk=000152555.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152555

0 1
 S   -2.566000       1.057600       1.115900    
 S    2.345700       1.162400      -1.174900    
 O   -1.249800       1.882500      0.6086000    
 O    1.077700       1.920100     -0.4765000    
 O   -3.705200       1.437200      0.3034000    
 O   -2.609200       1.134300       2.564000    
 O    3.572400       1.618000     -0.5507000    
 O    2.161400       1.217900      -2.612800    
 O   -3.617400     -2.2800000E-02  -2.106500    
 O    3.940400      0.1946000       1.854500    
 O   -1.478600      0.4588000      -2.218600    
 O    1.820000      0.5576000       2.291800    
 N   -2.438400     -0.1620000      -1.704100    
 N    2.723600     -1.6799999E-02   1.639900    
 C   3.0300001E-02   3.895100      0.4188000    
 C   -1.360200       3.282400      0.3916000    
 C   0.9274000       3.320600     -0.6663000    
 C   -2.209600     -0.6200000      0.6985000    
 C    2.155200     -0.5256000     -0.6952000    
 C   -2.181000      -1.054500     -0.6266000    
 C    2.355600     -0.9395000      0.6216000    
 C   -1.953000      -1.519800       1.733100    
 C    1.794900      -1.454900      -1.671200    
 C   -1.895600      -2.388600     -0.9172000    
 C    2.195700      -2.282600      0.9625000    
 C   -1.667500      -2.853900       1.442600    
 C    1.634900      -2.798000      -1.330300    
 C   -1.638900      -3.288300      0.1175000    
 C    1.835300      -3.211800     -1.3500000E-02
 H   0.4858000       3.684600       1.394300    
 H  -4.1999999E-02   4.981500      0.3023000    
 H   -1.972800       3.734900       1.179600    
 H   -1.846700       3.456100     -0.5740000    
 H    1.906200       3.811100     -0.6195000    
 H   0.5003000       3.497800      -1.659200    
 H   -1.962800      -1.216100       2.775500    
 H    1.626300      -1.167900      -2.704600    
 H   -1.869100      -2.742500      -1.945000    
 H    2.346900      -2.620700       1.984800    
 H   -1.465400      -3.554400       2.247600    
 H    1.352500      -3.521500      -2.089400    
 H   -1.417000      -4.327100     -0.1086000    
 H    1.710100      -4.257500      0.2520000    


%chk=000152555-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152555

0 1
S -3.134498 0.956141 -0.407389
S 2.768245 1.827085 -0.887624
O -1.385971 1.609975 -0.152370
O 1.526671 2.018362 0.487449
O -3.590225 0.774736 -1.942875
O -4.091240 1.857051 0.556403
O 4.246113 2.366477 -0.527795
O 2.055926 2.431521 -2.216292
O -1.227783 -3.063621 -1.743111
O 5.228145 -1.366765 1.248981
O -1.264385 -0.785190 -1.806980
O 3.905117 0.471787 1.544825
N -1.559144 -1.910914 -1.261423
N 4.252752 -0.591920 0.913000
C -0.343325 3.423410 1.148738
C -1.364425 3.084881 0.048767
C 1.121632 3.431043 0.693762
C -2.938728 -0.721716 0.515005
C 2.678410 -0.075189 -1.030345
C -2.307922 -1.883398 0.019996
C 3.441490 -0.987192 -0.271050
C -3.596331 -0.736889 1.755348
C 1.846312 -0.513677 -2.070822
C -2.344632 -3.078307 0.773797
C 3.401081 -2.362647 -0.589104
C -3.617187 -1.928822 2.516404
C 1.778146 -1.897041 -2.362018
C -2.996774 -3.097682 2.022777
C 2.565588 -2.814234 -1.631816
H -0.472858 2.734500 2.002648
H -0.572271 4.444799 1.517493
H -2.370734 3.418575 0.373110
H -1.104184 3.559301 -0.915182
H 1.775673 3.874146 1.466962
H 1.225664 3.999907 -0.252432
H -4.093574 0.174866 2.103319
H 1.269738 0.216573 -2.646864
H -1.854768 -3.964722 0.361888
H 4.016897 -3.048547 -0.000694
H -4.123947 -1.938370 3.486197
H 1.101464 -2.246071 -3.146130
H -3.018728 -4.021962 2.607941
H 2.520970 -3.881962 -1.866794


