%chk=000009953.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009953

0 1
 S   0.8483000      -2.497100     -6.0600001E-02
 O   -1.083100     -0.8532000       1.732100    
 O   0.9171000      -2.897000       1.331700    
 O    1.155900      -3.445100      -1.114000    
 N   -2.641600     -0.5886000      4.5400001E-02
 N  -0.6742000      -1.784200     -0.3706000    
 C   -3.596800      0.1859000      0.8063000    
 C   -3.278500       1.682900      0.7288000    
 C   -5.030100     -0.1018000      0.3469000    
 C   -3.585800       2.275800     -0.6463000    
 C   -5.334400      0.4940000      -1.027700    
 C   -5.020600       1.986100      -1.076600    
 C    4.092700       2.879100      0.6774000    
 C    3.585600       1.754500       1.592900    
 C    4.519200       2.217600     -0.6417000    
 C    3.074900      0.7711000      0.5877000    
 C    3.604800       1.034100     -0.6810000    
 C   -1.452600      -1.047800      0.5780000    
 C    2.233500     -0.3075000      0.8008000    
 C    1.914800      -1.123100     -0.2872000    
 C    3.304400      0.2237000      -1.762700    
 C    2.446500     -0.8594000      -1.559700    
 H   -3.506900     -0.1264000       1.854300    
 H   -2.225900       1.866600      0.9756000    
 H   -3.876700       2.212800       1.481300    
 H   -5.730600      0.3225000       1.077600    
 H   -5.212400      -1.183000      0.3226000    
 H   -2.890800       1.866100      -1.389400    
 H   -3.421500       3.359100     -0.6230000    
 H   -6.392400      0.3358000      -1.266500    
 H   -4.757900     -2.8000001E-02  -1.800400    
 H   -5.713400       2.525500     -0.4190000    
 H   -5.185000       2.364700      -2.091700    
 H   -2.824600     -0.7666000     -0.9371000    
 H    4.901000       3.457900       1.135000    
 H    3.268300       3.578100      0.4779000    
 H    2.801700       2.111400       2.266600    
 H    4.405300       1.313300       2.169000    
 H    5.562000       1.887100     -0.5996000    
 H    4.371700       2.890300      -1.491200    
 H    1.839700     -0.4984000       1.793400    
 H    3.721400      0.4202000      -2.744500    
 H    2.200000      -1.489600      -2.410200    
 H   -1.076500      -1.934500      -1.304400    


%chk=000009953-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009953

0 1
S 0.819628 -2.357368 -0.453656
O -0.787929 -0.190247 1.126203
O 0.803127 -3.081471 0.990888
O 0.980016 -3.228157 -1.820972
N -2.783839 -0.502953 -0.057094
N -0.805398 -1.540542 -0.788938
C -3.571518 0.432001 0.784747
C -3.440737 1.899531 0.291574
C -5.055623 -0.012565 0.799667
C -4.133932 2.121803 -1.072267
C -5.759945 0.215585 -0.561665
C -5.619213 1.684890 -1.029183
C 4.518983 2.802988 1.014843
C 3.752751 1.686337 1.791551
C 5.035144 2.110546 -0.285503
C 3.287087 0.754707 0.681612
C 4.019418 0.999394 -0.513922
C -1.433776 -0.712542 0.167912
C 2.295983 -0.244429 0.729128
C 2.083237 -0.962216 -0.460799
C 3.776300 0.246701 -1.681330
C 2.781768 -0.761032 -1.662755
H -3.144613 0.359934 1.801384
H -2.369575 2.167921 0.241377
H -3.905120 2.558695 1.053407
H -5.577276 0.585594 1.572381
H -5.126640 -1.072853 1.109117
H -3.600999 1.543085 -1.854602
H -4.057687 3.186818 -1.363226
H -6.828107 -0.060822 -0.475820
H -5.335777 -0.457269 -1.338672
H -6.169899 2.340635 -0.323217
H -6.089170 1.817228 -2.022718
H -3.257971 -0.969426 -0.830884
H 5.332326 3.253403 1.608838
H 3.812123 3.608508 0.742915
H 2.920645 2.078872 2.401523
H 4.433358 1.145481 2.479961
H 6.041935 1.673261 -0.125285
H 5.117722 2.805400 -1.140056
H 1.697280 -0.448276 1.620766
H 4.343673 0.432417 -2.599726
H 2.562491 -1.381385 -2.537431
H -1.303748 -2.043281 -1.533875


