%chk=000023695.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023695

0 1
 S  -6.2799998E-02  3.1999999E-03  7.7399999E-02
 O   -3.008100      0.6652000     -0.4987000    
 O  -0.8209000      -1.125200     -0.4345000    
 O   9.3999997E-02  0.2020000       1.507900    
 N   -6.584000     -0.1110000     -5.6600001E-02
 C    1.564000     -7.4500002E-02 -0.6357000    
 C  -0.7397000       1.481200     -0.6135000    
 C    2.198000      -1.406400     -0.3098000    
 C    2.371400       1.146800     -0.2588000    
 C   -2.151500       1.734600     -0.1218000    
 C    2.965800      -2.045100      -1.270100    
 C    2.699900       2.069800      -1.237700    
 C    1.999900      -1.963600      0.9431000    
 C    2.765600       1.318400       1.057700    
 C   -4.343000      0.8881000     -6.4000003E-02
 C   -5.201400     -0.2890000     -0.4988000    
 C    3.551400      -3.274800     -0.9692000    
 C    3.444700       3.196900     -0.8901000    
 C    2.585700      -3.193300       1.243800    
 C    3.510200       2.445600       1.405200    
 C    3.361400      -3.848800      0.2875000    
 C    3.849700       3.384700      0.4313000    
 C   -6.641100      3.2200001E-02   1.397700    
 C   -7.409000      -1.237200     -0.4921000    
 H    1.367700     -6.3800000E-02  -1.717800    
 H  -0.1049000       2.325100     -0.3355000    
 H  -0.7321000       1.355100      -1.700900    
 H   -2.156100       1.837600      0.9698000    
 H   -2.521500       2.668800     -0.5600000    
 H    3.122300      -1.605600      -2.250900    
 H    2.389800       1.935600      -2.269900    
 H    1.452100      -1.509400       1.753100    
 H    2.539400      0.6057000       1.841500    
 H   -4.721700       1.820000     -0.5014000    
 H   -4.310700      0.9918000       1.024600    
 H   -4.768100      -1.222800     -0.1151000    
 H   -5.160500     -0.3633000      -1.593300    
 H    4.156400      -3.784700      -1.713200    
 H    3.709000       3.928300      -1.648200    
 H    2.446500      -3.637200       2.225300    
 H    3.829500       2.590400       2.433200    
 H    3.819400      -4.805200      0.5226000    
 H    4.430300       4.261900      0.7018000    
 H   -7.681700     -4.6999999E-03   1.743300    
 H   -6.092300     -0.7595000       1.920700    
 H   -6.274000       1.009000       1.727100    
 H   -7.387500      -1.331000      -1.583700    
 H   -7.076200      -2.186900     -5.7500001E-02
 H   -8.456900      -1.078500     -0.2137000    


%chk=000023695-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023695

0 1
S -0.657627 0.269428 -0.462083
O -3.476129 2.285366 -0.989973
O -1.516818 -0.968382 -1.109984
O -0.904284 0.658308 1.124163
N -5.334801 -0.706229 0.365285
C 1.473064 -0.151440 -0.674621
C -1.064365 1.902456 -1.481478
C 1.644138 -1.457838 0.032303
C 2.171050 1.098879 -0.269617
C -2.117136 2.746050 -0.756336
C 2.151269 -2.553531 -0.719619
C 2.548426 2.020224 -1.292141
C 1.314260 -1.660250 1.402630
C 2.478987 1.424758 1.081403
C -4.065570 1.409389 0.058871
C -4.687005 0.181088 -0.631545
C 2.375469 -3.805904 -0.110596
C 3.211262 3.223780 -0.978738
C 1.525529 -2.918316 2.003109
C 3.137357 2.632119 1.393327
C 2.068427 -3.990512 1.256905
C 3.504716 3.537097 0.369727
C -4.366956 -1.561992 1.089107
C -6.446761 -1.494414 -0.199617
H 1.465852 -0.281051 -1.769982
H -0.093273 2.421630 -1.552607
H -1.408657 1.513101 -2.452071
H -1.871384 2.805680 0.324131
H -2.062811 3.766738 -1.185200
H 2.379066 -2.417547 -1.783762
H 2.341774 1.772540 -2.341776
H 0.827513 -0.861351 1.970729
H 2.214073 0.734592 1.884899
H -4.854530 1.981963 0.580521
H -3.287946 1.112675 0.787359
H -3.896123 -0.345311 -1.216310
H -5.456956 0.537416 -1.340596
H 2.776227 -4.636111 -0.702154
H 3.504060 3.911407 -1.779610
H 1.250959 -3.067712 3.053064
H 3.365524 2.868677 2.438230
H 2.232779 -4.964515 1.730899
H 4.019204 4.471612 0.618572
H -4.892764 -2.112055 1.890935
H -3.860364 -2.299788 0.419943
H -3.578049 -0.946967 1.552934
H -7.191042 -0.819330 -0.658988
H -6.122100 -2.233144 -0.976694
H -6.949135 -2.056783 0.609156


