%chk=000004230.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004230

0 1
 S   -2.807000       1.090700      -1.577900    
 O   -2.666300      0.7112000      -2.963800    
 O   -3.375700       2.362200      -1.197800    
 O    3.216200     -0.1959000      0.7288000    
 O   0.5459000       3.032600     -0.2309000    
 O    2.362800      0.7647000       2.623300    
 O  -0.9472000       5.216400      0.3386000    
 O   -5.812400      -3.180700       1.197300    
 N   -1.289200      0.9219000     -0.8079000    
 N   0.9680000      0.2688000      0.8293000    
 N   -1.424100       3.922600      0.5893000    
 C   -1.147800       1.547600      0.5376000    
 C  -0.2483000      0.7526000       1.480800    
 C  -0.6245000     -0.3993000     -0.9548000    
 C   0.8292000     -0.2774000     -0.5211000    
 C  -0.5743000       2.900100      0.2575000    
 C   -3.703300     -0.1828000     -0.7505000    
 C    2.198200      0.3158000       1.490900    
 C   -4.399700      0.1044000      0.4236000    
 C   -3.716100      -1.477200      -1.270200    
 C   -5.108700     -0.9030000       1.078100    
 C   -4.425000      -2.484500     -0.6157000    
 C    4.517100     -0.1840000       1.327500    
 C   -5.121300      -2.197500      0.5584000    
 C    5.504800     -0.7750000      0.3648000    
 C    5.759800      -2.146400      0.3813000    
 C    6.167600      4.6700001E-02 -0.5469000    
 C    6.677700      -2.696000     -0.5137000    
 C    7.085500     -0.5031000      -1.442000    
 C   -5.782300      -4.481300      0.6116000    
 C    7.340400      -1.874400      -1.425300    
 H   -2.119000       1.646600       1.030100    
 H  -0.7785000     -0.1377000       1.841300    
 H   9.3000000E-03   1.349000       2.363200    
 H  -0.6529000     -0.7271000      -1.998700    
 H   -1.123800      -1.151100     -0.3355000    
 H    1.319600      -1.256500     -0.5575000    
 H    1.378000      0.3905000      -1.196200    
 H   -2.297200       3.845500       1.098100    
 H   -4.410400       1.105100      0.8452000    
 H   -3.179900      -1.723500      -2.182300    
 H   -5.650100     -0.6734000       1.991700    
 H   -4.392100      -3.467200      -1.073500    
 H    4.501700     -0.7652000       2.257900    
 H    4.800900      0.8463000       1.575600    
 H   -1.349500       5.382200     -0.5309000    
 H    5.248000      -2.797100       1.085300    
 H    5.975700       1.116100     -0.5711000    
 H    6.875900      -3.763700     -0.5013000    
 H    7.601100      0.1365000      -2.152500    
 H   -6.247100      -4.486900     -0.3802000    
 H   -4.767300      -4.892500      0.5967000    
 H   -6.383400      -5.137200       1.249800    
 H    8.054800      -2.302400      -2.122500    


%chk=000004230-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004230

0 1
S -2.540422 0.438882 -1.802620
O -2.618130 -0.319457 -3.234772
O -2.584665 2.068987 -1.632000
O 3.324110 -1.807956 0.377155
O 1.572332 1.905770 0.597239
O 2.485643 -1.005334 2.434923
O 0.849266 3.917476 -1.022115
O -6.914307 -1.667087 1.804751
N -0.876274 0.016509 -1.121935
N 1.132136 -1.174943 0.524367
N -0.016391 2.797404 -0.795760
C -0.554533 0.623642 0.209942
C 0.023149 -0.447257 1.163327
C -0.433089 -1.380598 -1.366019
C 1.036832 -1.481781 -0.922251
C 0.427038 1.808214 0.021694
C -3.908780 -0.233845 -0.703418
C 2.318287 -1.295677 1.221272
C -4.413731 0.583203 0.330037
C -4.386518 -1.529070 -0.963248
C -5.424954 0.059753 1.151812
C -5.403549 -2.049874 -0.135317
C 4.700789 -1.805639 0.957557
C -5.915583 -1.256568 0.927637
C 5.509519 -0.643700 0.414364
C 6.776089 -0.875851 -0.175735
C 5.021295 0.686193 0.509966
C 7.556545 0.202357 -0.653053
C 5.797491 1.760507 0.024222
C -7.490520 -3.007420 1.625186
C 7.067899 1.524642 -0.554044
H -1.478520 1.021118 0.678902
H -0.790257 -1.138014 1.461568
H 0.420727 0.033501 2.071960
H -0.510480 -1.582558 -2.446246
H -1.041993 -2.131501 -0.814797
H 1.408261 -2.503167 -1.114731
H 1.659672 -0.782127 -1.511375
H -0.903431 2.804690 -1.331090
H -4.054113 1.609315 0.454806
H -3.998578 -2.103579 -1.810834
H -5.859836 0.649865 1.963148
H -5.791334 -3.052918 -0.331628
H 5.136533 -2.774992 0.666171
H 4.594697 -1.752005 2.057019
H 1.635956 3.681237 -0.432262
H 7.154200 -1.902384 -0.264030
H 4.038605 0.885509 0.952774
H 8.536121 0.010492 -1.105516
H 5.411928 2.783282 0.100862
H -7.979991 -3.100424 0.637412
H -6.718686 -3.791567 1.741825
H -8.240538 -3.101693 2.422747
H 7.667880 2.362536 -0.926951


