%chk=000004291.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004291

0 1
 S   0.2107000     -0.1352000      -1.398600    
 O    3.961300      0.5295000      0.1199000    
 O   0.1968000      -1.346000      -2.198700    
 O   0.4808000       1.139400      -2.037800    
 O    3.292000      -2.317700      0.4079000    
 N    1.277500     -0.3466000     -5.8499999E-02
 C    1.662900      0.8563000      0.7172000    
 C    1.062400      -1.529200      0.8154000    
 C    2.904000       1.486300      9.4200000E-02
 C   -1.372000     -4.8000002E-03 -0.6148000    
 C    2.381900      -1.949800       1.436600    
 C    3.343800       2.719200      0.8720000    
 C   -1.834500       1.242500     -0.2383000    
 C   -2.111300      -1.152300     -0.3960000    
 C   -3.842400      0.2004000      0.6093000    
 C   -3.080900       1.346000      0.3794000    
 C   -3.357600      -1.048900      0.2216000    
 C   -5.175400      0.3108000       1.269200    
 H    1.840400      0.6209000       1.771100    
 H   0.8413000       1.579600      0.7219000    
 H   0.6855000      -2.361000      0.2108000    
 H   0.3268000      -1.299800       1.593400    
 H    2.736000       1.755900     -0.9522000    
 H    2.224100      -2.833200       2.063800    
 H    2.850200      -1.191300       2.067100    
 H    2.570100       3.492900      0.8583000    
 H    3.572700       2.470700       1.914300    
 H    4.260800       3.134300      0.4400000    
 H   -1.258200       2.146400     -0.4084000    
 H   -1.750600      -2.133700     -0.6872000    
 H   -3.448600       2.324900      0.6752000    
 H   -3.942200      -1.948500      0.3945000    
 H    4.201200      0.3705000       1.048600    
 H   -5.203700       1.157500       1.963500    
 H   -5.957200      0.4485000      0.5158000    
 H   -5.403500     -0.5884000       1.851700    
 H    3.396400      -1.549400     -0.1786000    


%chk=000004291-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004291

0 1
S 0.141501 -0.023198 -1.309753
O 4.229498 0.399420 0.309931
O 0.165886 -1.344120 -2.250794
O 0.491253 1.478711 -1.842964
O 3.574930 -2.284198 0.476062
N 1.372181 -0.329070 0.037072
C 1.821597 0.899694 0.721269
C 1.176357 -1.608530 0.748765
C 3.155931 1.410652 0.122821
C -1.583476 0.063720 -0.526647
C 2.492181 -2.094689 1.411945
C 3.579542 2.768227 0.701887
C -2.092893 1.322320 -0.165729
C -2.294004 -1.135041 -0.344411
C -4.128130 0.186510 0.646540
C -3.374167 1.370189 0.426856
C -3.571977 -1.059794 0.251348
C -5.518379 0.255525 1.251150
H 1.938466 0.686415 1.803204
H 1.074439 1.712921 0.621541
H 0.884268 -2.353687 -0.013342
H 0.381498 -1.552302 1.530549
H 3.032080 1.473930 -0.969749
H 2.288540 -3.081098 1.866392
H 2.771877 -1.397703 2.236741
H 2.830341 3.543538 0.461937
H 3.685437 2.728128 1.804885
H 4.544861 3.082645 0.269516
H -1.519460 2.231433 -0.374211
H -1.874922 -2.087323 -0.685366
H -3.797241 2.340146 0.712712
H -4.147849 -1.980002 0.403024
H 4.651099 0.527446 1.197501
H -5.624132 1.118462 1.931041
H -6.284415 0.364948 0.459294
H -5.761489 -0.660306 1.817167
H 3.830271 -1.377220 0.125416


