%chk=000021307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021307

0 1
 S   -2.336900       1.602300      0.7960000    
 O   -3.720100     -0.7224000     -0.7880000    
 O  -6.3000001E-02 -0.6780000       1.802000    
 N   0.5740000      0.2577000     -0.2631000    
 C   -4.092900       1.334400      0.4611000    
 C   -4.214300      0.6145000     -0.8656000    
 C   -1.714300      5.9099998E-02  0.3226000    
 C   -2.416600     -0.8774000     -0.3485000    
 C  -0.3145000     -0.1667000      0.7137000    
 C   -1.885900      -2.243900     -0.6849000    
 C    1.988500      0.1960000     -0.2268000    
 C    2.714400      0.6730000      -1.304800    
 C    2.613600     -0.3392000      0.8865000    
 C    4.107600      0.6130000      -1.268500    
 C    4.006700     -0.3992000      0.9230000    
 C    4.753600      7.6899998E-02 -0.1547000    
 H   -4.600000       2.302700      0.4281000    
 H   -4.520800      0.7388000       1.274000    
 H   -5.273600      0.5403000      -1.135200    
 H   -3.717900       1.147200      -1.687200    
 H   -1.856000      -2.372900      -1.772000    
 H   -2.545500      -3.012300     -0.2677000    
 H  -0.8804000      -2.434600     -0.3010000    
 H   0.1829000      0.6635000      -1.111200    
 H    2.220900       1.092600      -2.177000    
 H    2.105300     -0.7270000       1.756900    
 H    4.689300      0.9836000      -2.107400    
 H    4.511200     -0.8165000       1.789700    
 H    5.838300      3.0099999E-02 -0.1263000    


%chk=000021307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021307

0 1
S -1.906461 1.618614 0.007226
O -4.026813 -0.777887 -0.351161
O 0.134738 -1.747005 0.712333
N 0.706006 0.294645 -0.284053
C -3.788863 1.684873 -0.097739
C -4.303194 0.536086 -0.963364
C -1.652993 -0.231520 0.003291
C -2.685939 -1.136926 -0.090645
C -0.219492 -0.642953 0.187903
C -2.604115 -2.633646 0.051539
C 2.125903 0.268238 -0.192351
C 2.827181 1.372689 -0.752076
C 2.855120 -0.787064 0.420487
C 4.233805 1.425411 -0.699736
C 4.264392 -0.715984 0.467141
C 4.964265 0.379733 -0.087610
H -4.034371 2.663033 -0.542974
H -4.197349 1.623544 0.922607
H -5.402110 0.563735 -1.046878
H -3.852141 0.570463 -1.973460
H -2.879161 -3.117994 -0.903710
H -3.340745 -2.961097 0.808715
H -1.599885 -2.946215 0.365057
H 0.318627 1.107076 -0.776487
H 2.267503 2.191346 -1.223606
H 2.314345 -1.635842 0.840898
H 4.758269 2.283398 -1.134811
H 4.819175 -1.532782 0.942717
H 6.057903 0.419629 -0.045554


