%chk=000039706.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039706

0 1
 S    2.046400      -2.235000     -0.7135000    
 O   -1.201100       1.501400     -3.9600000E-02
 O  -0.6591000      -1.175200     -0.5594000    
 O  -0.9573000      -1.648600       1.686900    
 N    1.094300      -2.130200      0.7092000    
 C   -1.264000       2.153500       1.227300    
 C   -2.209400      0.6366000     -0.3414000    
 C  -4.3400001E-02   1.768900       2.049400    
 C   -1.352400       3.656900       1.013000    
 C   -1.937400     -0.7065000     -0.6018000    
 C   -3.522600       1.104200     -0.3890000    
 C   -2.978800      -1.582000     -0.9099000    
 C   -4.564100      0.2287000     -0.6969000    
 C   -4.292100      -1.114300     -0.9574000    
 C  -0.2233000      -1.655800      0.6987000    
 C    2.804900     -0.6158000     -0.6962000    
 C    1.696500      -2.660200       1.924400    
 C    4.018700     -0.4272000     -4.1400000E-02
 C    2.177900      0.4482000      -1.338200    
 C    4.610500      0.8359000     -2.8400000E-02
 C    2.769700       1.711400      -1.325300    
 C    3.985900       1.905100     -0.6704000    
 H   -2.149400       1.837000       1.795400    
 H  -2.9899999E-02   2.294400       3.009400    
 H  -2.6900001E-02  0.6959000       2.250300    
 H   0.8807000       2.003200       1.509800    
 H   -1.401300       4.192400       1.966100    
 H   -2.236900       3.917200      0.4232000    
 H  -0.4843000       4.020800      0.4522000    
 H   -3.753500       2.148300     -0.1997000    
 H   -2.774000      -2.629300      -1.114700    
 H   -5.586400      0.5932000     -0.7363000    
 H   -5.102800      -1.795800      -1.198000    
 H    4.520900      -1.249000      0.4627000    
 H    1.234400      0.3179000      -1.860900    
 H    1.021700      -2.549800       2.777600    
 H    2.622300      -2.120100       2.143400    
 H    1.911000      -3.724600       1.786200    
 H    5.557500      0.9869000      0.4813000    
 H    2.283500       2.543800      -1.825600    
 H    4.446400       2.888600     -0.6602000    


%chk=000039706-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039706

0 1
S 2.046312 -2.262269 -0.680818
O -1.189234 1.014023 0.557354
O -0.733329 -1.488329 -0.460756
O -0.991365 -1.755184 1.875055
N 1.061382 -2.171673 0.826317
C -1.428883 2.197774 1.438112
C -2.273184 0.395811 -0.071276
C -0.373738 2.094908 2.544717
C -1.321559 3.488865 0.608744
C -2.028871 -0.910968 -0.578626
C -3.556864 0.965580 -0.251777
C -3.020532 -1.618945 -1.273711
C -4.560010 0.246510 -0.941917
C -4.296979 -1.039029 -1.462506
C -0.273891 -1.794232 0.847911
C 2.886392 -0.609458 -0.654167
C 1.741169 -2.516673 2.090257
C 4.282017 -0.572650 -0.882346
C 2.146096 0.581256 -0.468756
C 4.943671 0.676625 -0.942149
C 2.823831 1.820891 -0.504906
C 4.217601 1.874273 -0.748504
H -2.441061 2.094840 1.878356
H -0.494565 2.922060 3.267890
H -0.475795 1.134345 3.076916
H 0.643012 2.149936 2.116323
H -1.494234 4.371630 1.251686
H -2.054202 3.511168 -0.216326
H -0.310883 3.572622 0.170337
H -3.778180 1.967437 0.127641
H -2.782526 -2.618045 -1.651346
H -5.547138 0.701976 -1.076738
H -5.072874 -1.589797 -2.003213
H 4.845026 -1.504666 -1.002999
H 1.064395 0.546400 -0.301824
H 1.009422 -2.433301 2.908913
H 2.579970 -1.820999 2.273536
H 2.129482 -3.549037 2.047837
H 6.023617 0.709059 -1.123919
H 2.256346 2.747824 -0.361259
H 4.732955 2.840443 -0.785764


