%chk=000002632.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002632

0 1
 S    2.191700      -1.496300       2.242600    
 S   -5.776700       1.916000      -1.758300    
 O   0.1921000       2.373200      0.6109000    
 O    5.745200     -0.9952000     -0.7956000    
 O    2.630900       2.295500      -1.412100    
 O    4.028800       2.927900      0.2838000    
 O   -2.921000      0.4323000       2.170700    
 O   -4.839500      -2.359300     -0.7566000    
 O    7.890700     -0.1563000     -0.9701000    
 N    1.687200      0.5497000      0.6271000    
 N   -1.328600     -0.4867000      0.7110000    
 N   -3.769200      -2.034300      8.8399999E-02
 N   -6.022800     -2.9600000E-02 -7.4100003E-02
 N   -8.050100      0.9938000     -0.7321000    
 C    1.169500     -0.7696000      0.9413000    
 C  -0.1172000     -4.9800001E-02   1.400900    
 C   0.5309000       1.227500      0.7946000    
 C    2.981200      0.7942000      0.2958000    
 C    3.952600     -0.1241000      0.5133000    
 C    3.708800      -1.450800       1.229100    
 C    5.395300      3.9200000E-02  9.9500000E-02
 C    3.290400       2.124400     -0.2493000    
 C   -2.600800     -0.1959000       1.174500    
 C   -3.690700     -0.7546000      0.2968000    
 C   -4.676800      0.1209000     -0.3449000    
 C    7.035000     -0.9804000      -1.262700    
 C   -4.349200       1.123200      -1.233900    
 C    7.261600      -2.130300      -2.196700    
 C   -6.697400      0.8633000     -0.7637000    
 C   -4.852100      -3.767700     -0.9302000    
 H    1.056500      -1.396800      4.8300002E-02
 H  -0.2570000      2.6100000E-02   2.486100    
 H    4.538000      -1.662600       1.912500    
 H    3.664700      -2.262200      0.4944000    
 H   -1.255600      -1.024600     -0.1497000    
 H    5.577800      0.9999000     -0.3913000    
 H    6.033600     -6.5000001E-03  0.9907000    
 H    2.809000       3.173400      -1.811900    
 H   -3.373800       1.421600      -1.592000    
 H    7.100600      -3.073200      -1.668300    
 H    8.293100      -2.105400      -2.559900    
 H    6.588200      -2.048900      -3.053500    
 H   -5.684800      -4.028100      -1.588900    
 H   -4.995600      -4.268600      3.2200001E-02
 H   -3.919100      -4.102500      -1.394200    
 H   -8.532300       1.697400      -1.281600    
 H   -8.631700      0.3919000     -0.1585000    


%chk=000002632-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002632

0 1
S 2.066164 -0.005987 1.935763
S -6.818063 0.423382 2.709790
O 0.586666 2.502116 -1.717575
O 6.067582 -1.414347 -0.337774
O 2.613824 1.013014 -3.318535
O 4.676621 1.799181 -2.594043
O -2.423751 0.991574 1.739922
O -4.710325 -1.235210 -1.847461
O 7.061682 -0.979521 1.734644
N 1.806372 0.598937 -0.767774
N -1.394123 0.274313 -0.213938
N -3.584051 -0.671592 -1.179339
N -6.232686 -0.676092 0.324719
N -8.521639 -0.973658 0.952588
C 1.117630 -0.153169 0.306258
C -0.112231 0.815066 0.147033
C 0.730913 1.524487 -0.970963
C 3.188815 0.604399 -1.042396
C 4.094231 0.053796 -0.156860
C 3.691342 -0.601216 1.154752
C 5.580872 0.008499 -0.424432
C 3.595402 1.212235 -2.348741
C -2.502349 0.421272 0.608725
C -3.795009 -0.158090 0.032458
C -5.039452 -0.089621 0.812675
C 6.845485 -1.759506 0.779737
C -5.152955 0.535715 2.058249
C 7.368502 -3.170534 0.635044
C -7.241439 -0.515328 1.153879
C -4.257840 -1.722349 -3.170130
H 0.941921 -1.213760 0.069162
H -0.246136 1.462978 1.032674
H 4.465752 -0.408717 1.917631
H 3.619004 -1.696756 1.028017
H -1.566374 -0.172520 -1.122269
H 5.851770 0.350784 -1.430463
H 6.129085 0.598276 0.334924
H 2.863342 1.506051 -4.145917
H -4.366457 1.039005 2.613236
H 6.564656 -3.851160 0.309452
H 7.794482 -3.509425 1.590243
H 8.154575 -3.195592 -0.140789
H -5.170698 -2.122478 -3.637606
H -3.502122 -2.518670 -3.052510
H -3.847165 -0.891458 -3.769596
H -9.260617 -0.820196 1.631081
H -8.719806 -1.477024 0.090858


