%chk=000012628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012628

0 1
 S   -1.516800      -2.070000      0.2941000    
 O   0.7018000      -1.066700      -1.634000    
 O   -1.567400      -2.734000     -0.9941000    
 O   -1.999100      -2.740200       1.486300    
 N    2.194700     -0.6513000      8.1400000E-02
 N   6.8700001E-02  -1.494900      0.5731000    
 C    3.280600     -0.1671000     -0.7416000    
 C    3.158500       1.341300     -0.9827000    
 C    4.638600     -0.5233000     -0.1276000    
 C    3.471400       2.160900      0.2691000    
 C    4.949100      0.2994000       1.123000    
 C    4.832100       1.796700      0.8552000    
 C   0.9840000      -1.064800     -0.4394000    
 C   -2.410100     -0.5503000      0.1652000    
 C   -2.548500      4.8500001E-02  -1.075100    
 C   -2.954800      1.3100000E-02   1.306300    
 C   -3.808400       1.830000     -3.8199998E-02
 C   -3.253000       1.248000      -1.177400    
 C   -3.659400       1.212500       1.203800    
 C   -4.562300       3.112200     -0.1474000    
 H    3.203300     -0.6732000      -1.712100    
 H    2.153000       1.594600      -1.339700    
 H    3.858300       1.632100      -1.776700    
 H    5.424700     -0.3428000     -0.8719000    
 H    4.675600      -1.590700      0.1214000    
 H    2.692100       1.996700       1.023300    
 H    3.452300       3.228500      2.2100000E-02
 H    5.963700      6.8700001E-02   1.467600    
 H    4.270800      1.7899999E-02   1.936900    
 H    5.622200       2.104800      0.1593000    
 H    4.993500       2.351800       1.786100    
 H    2.303100     -0.6460000       1.090700    
 H   0.4003000      -1.498500       1.545900    
 H   -2.120200     -0.3864000      -1.972700    
 H   -2.842700     -0.4470000       2.283100    
 H   -3.360000       1.720900      -2.150100    
 H   -4.084600       1.658200       2.099200    
 H   -5.351300       3.172400      0.6099000    
 H   -3.882700       3.959900     -1.4300000E-02
 H   -5.048900       3.202600      -1.124500    


%chk=000012628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012628

0 1
S -1.494117 -1.884741 0.677519
O 0.439442 -0.316284 -1.191153
O -1.484975 -2.927422 -0.556873
O -1.855522 -2.381575 2.185938
N 2.316782 -0.530514 0.193104
N 0.197551 -1.196418 0.965030
C 3.240514 0.139623 -0.755357
C 3.290230 1.674406 -0.516994
C 4.654838 -0.481360 -0.641029
C 3.985395 2.035671 0.816600
C 5.366415 -0.112139 0.685614
C 5.404431 1.421449 0.896837
C 0.968337 -0.664448 -0.092287
C -2.562066 -0.393276 0.256484
C -2.615882 0.051343 -1.073871
C -3.307231 0.165640 1.304836
C -4.256654 1.744340 -0.336025
C -3.477800 1.131367 -1.355900
C -4.159742 1.248290 0.989901
C -5.176107 2.905005 -0.669109
H 2.825223 -0.051460 -1.761009
H 2.261775 2.078550 -0.551382
H 3.848035 2.134168 -1.358370
H 5.259090 -0.095436 -1.485589
H 4.591517 -1.579322 -0.763222
H 3.373406 1.664959 1.665001
H 4.038461 3.135518 0.926848
H 6.392425 -0.526775 0.682385
H 4.851359 -0.587575 1.548661
H 6.041545 1.877409 0.110895
H 5.874540 1.662069 1.869751
H 2.687736 -0.840990 1.091631
H 0.587427 -1.564613 1.841389
H -1.995634 -0.415602 -1.842790
H -3.236287 -0.243312 2.317736
H -3.542692 1.506134 -2.383855
H -4.758706 1.706218 1.784881
H -5.728203 3.255847 0.218837
H -4.605348 3.761706 -1.073628
H -5.917307 2.618046 -1.437935


