%chk=000002647.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002647

0 1
 S    1.962000       1.992900       1.350600    
 O    1.006700      -2.454300      0.3019000    
 O    5.579700      0.7082000      9.9100001E-02
 O   -1.846300       2.031000      0.2917000    
 O    3.357200      -2.474300     -0.9179000    
 O    5.250000      -1.960600      0.2584000    
 N    2.120700     -0.3830000      0.1575000    
 N   -1.062600     -7.0100002E-02 -0.2992000    
 N   -3.541500       2.035500      -1.837300    
 C    1.327100      0.8333000      0.1144000    
 C   0.1335000     -4.8799999E-02  0.5421000    
 C    1.094600      -1.248900      0.2932000    
 C    3.472000     -0.3954000      6.1000001E-02
 C    3.623500       2.083100      0.5890000    
 C    4.200100      0.7290000      0.2205000    
 C   -1.967200      0.9904000     -0.3541000    
 C   -3.135600      0.7407000      -1.298100    
 C   -4.230700      7.4900001E-02 -0.5330000    
 C    4.147200      -1.678400     -0.1691000    
 C   -4.763900      0.8339000      0.6589000    
 C   -4.713800      -1.130000     -0.8845000    
 C   -5.813100      -1.834400     -0.1429000    
 C   -5.863300      0.1280000       1.398100    
 C   -6.335900      -1.072900       1.037700    
 C    5.999900       1.570000     -0.9381000    
 H    1.246700       1.245100     -0.8993000    
 H  -0.1468000      1.8700000E-02   1.602100    
 H   -1.262500     -0.8908000     -0.8661000    
 H    4.276100       2.581000       1.313800    
 H    3.553900       2.717900     -0.3006000    
 H   -2.791200      0.1223000      -2.135200    
 H   -5.159400       1.805500      0.3429000    
 H   -3.962800       1.016900       1.382800    
 H   -4.304500      -1.646800      -1.748700    
 H   -3.787200       2.684800      -1.092400    
 H   -4.367500       1.927000      -2.423800    
 H   -5.441000      -2.806500      0.1998000    
 H   -6.640600      -2.024500     -0.8357000    
 H   -6.287100      0.6263000       2.265400    
 H   -7.133500      -1.526900       1.618300    
 H    7.046700       1.341600      -1.162000    
 H    5.954600       2.619100     -0.6278000    
 H    5.423700       1.417800      -1.858300    
 H    3.772400      -3.345300      -1.095100    


%chk=000002647-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002647

0 1
S 2.270981 2.722911 -1.025941
O 0.374948 -0.212691 2.088681
O 5.220488 -0.204191 -0.840002
O -2.240383 3.296211 0.088295
O 2.140891 -2.371443 0.781435
O 4.295082 -1.802731 1.448240
N 1.651846 0.223929 0.046384
N -1.447426 1.150600 -0.354571
N -4.828397 2.584263 -0.345123
C 1.101372 1.235998 -0.878628
C -0.108757 1.422573 0.109546
C 0.595227 0.334379 0.997980
C 2.976797 -0.262294 0.066323
C 3.778786 1.652556 -1.460872
C 3.961157 0.385260 -0.648328
C -2.444882 2.112663 -0.311796
C -3.828560 1.642073 -0.844757
C -4.137526 0.191521 -0.451287
C 3.243370 -1.514972 0.832605
C -4.404287 -0.073776 1.019973
C -4.190254 -0.788816 -1.395417
C -4.512245 -2.240064 -1.099289
C -4.734960 -1.521172 1.315899
C -4.782192 -2.494936 0.371511
C 6.296494 0.199247 0.103068
H 0.865856 0.849585 -1.882316
H -0.111405 2.416069 0.593835
H -1.724928 0.196557 -0.609206
H 4.651641 2.312032 -1.306207
H 3.740956 1.400781 -2.536016
H -3.722113 1.663610 -1.959990
H -5.221237 0.600306 1.349429
H -3.527228 0.242612 1.627803
H -4.020471 -0.526041 -2.451725
H -4.434531 3.486983 -0.060934
H -5.695574 2.631248 -0.879946
H -3.684504 -2.894294 -1.452723
H -5.391907 -2.552163 -1.704495
H -4.940307 -1.774185 2.364911
H -5.028954 -3.525349 0.660686
H 7.213823 -0.251010 -0.303387
H 6.071096 -0.210547 1.101283
H 6.398789 1.301367 0.138097
H 2.303729 -3.151658 1.376971


