%chk=000026162.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026162

0 1
 S    3.074200      -1.882000     -0.1896000    
 O   -1.645700      0.1798000      -2.025400    
 O    3.519200       1.866600       1.043600    
 O    3.604200      -3.047000      0.4940000    
 O    2.112200      -2.032000      -1.263300    
 N   -3.945300      7.9999998E-02 -0.2963000    
 N    2.507600     -0.7689000      0.9950000    
 C   -1.724100      0.9833000     -0.8488000    
 C   -2.597700      0.2954000      0.2074000    
 C   -4.775800     -0.5780000      0.7113000    
 C  -0.3183000       1.214800     -0.3397000    
 C   0.4332000      0.1332000      8.6499996E-02
 C    1.729800      0.3467000      0.5545000    
 C   0.1867000       2.503200     -0.3124000    
 C   -4.173700      -1.926900       1.094500    
 C   -6.193000     -0.7438000      0.1720000    
 C    2.254900       1.638500      0.5891000    
 C    1.483300       2.716800      0.1555000    
 C    4.468200     -0.9798000     -0.8278000    
 H   -2.179800       1.938100      -1.139800    
 H   -2.617000      0.9006000       1.122500    
 H   -2.136800     -0.6670000      0.4419000    
 H   -4.837700      5.0200000E-02   1.609200    
 H   -4.362500      0.9730000     -0.5573000    
 H   3.0600000E-02 -0.8752000      5.8300000E-02
 H  -0.4040000       3.350700     -0.6473000    
 H   -4.897800      -2.515500       1.670200    
 H   -3.904900      -2.519600      0.2126000    
 H   -3.291400      -1.825700       1.734400    
 H   -6.632500      0.2261000     -8.6499996E-02
 H   -6.841400      -1.210400      0.9216000    
 H   -6.209800      -1.373100     -0.7250000    
 H    1.879600       3.728500      0.1768000    
 H    3.186300     -0.5336000       1.731700    
 H   -2.556300      4.9000001E-03  -2.318600    
 H    4.974300      -1.617000      -1.556700    
 H    4.116900     -7.0799999E-02  -1.318400    
 H    5.148900     -0.7479000     -6.5000001E-03
 H    3.708600       2.819100      0.9911000    


%chk=000026162-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026162

0 1
S 2.123818 -1.819810 0.749904
O -1.930357 1.084243 -1.885224
O 3.680520 2.048576 1.120300
O 3.075463 -2.243019 2.012768
O 0.502822 -1.686815 0.952472
N -3.687255 0.343859 -0.117871
N 2.753179 -0.130844 -0.336992
C -1.780505 1.853897 -0.660962
C -2.539359 1.065719 0.483789
C -3.944133 -1.056769 0.354502
C -0.315524 2.004537 -0.291007
C 0.576885 0.951565 -0.572801
C 1.910129 0.968077 -0.087036
C 0.153651 3.131753 0.427703
C -2.846089 -2.017028 -0.150381
C -5.336847 -1.486045 -0.149879
C 2.351473 2.105208 0.669552
C 1.488605 3.193308 0.895478
C 2.409206 -3.089904 -0.635418
H -2.244907 2.859153 -0.779380
H -2.832371 1.761042 1.296281
H -1.845526 0.321943 0.910779
H -3.949566 -1.087478 1.469384
H -4.551817 0.901514 -0.102155
H 0.225719 0.105514 -1.168023
H -0.522341 3.972748 0.623974
H -3.052048 -3.041137 0.211839
H -2.832556 -2.031130 -1.256025
H -1.837951 -1.739546 0.205472
H -6.133827 -0.822747 0.239304
H -5.564648 -2.514937 0.178740
H -5.369609 -1.459177 -1.254732
H 1.840877 4.076405 1.443523
H 3.692672 0.028715 0.090383
H -2.771066 0.538654 -1.681979
H 2.039498 -4.048628 -0.245900
H 1.837570 -2.728356 -1.499201
H 3.489665 -3.104525 -0.831075
H 3.909751 2.826767 1.684193


