%chk=000067053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067053

0 1
 S   1.9999999E-04 -3.9999999E-04  -1.380200    
 S   -3.001800      -1.360100      -1.305900    
 S    3.002100       1.359400      -1.306600    
 O   -2.145200      -2.654200     -0.7981000    
 O    2.145400       2.653600     -0.7994000    
 O   -4.405500      -1.656900      -1.074000    
 O   -2.524900     -0.9871000      -2.626200    
 O    4.405800       1.656300      -1.074700    
 O    2.525300      0.9856000      -2.626500    
 N   -4.164200       1.871800       2.494900    
 N    4.164500      -1.870600       2.496000    
 C   -1.278300      0.5231000     -0.2423000    
 C    1.275400     -0.5220000     -0.2448000    
 C   -2.545100     -6.0400002E-02 -0.2207000    
 C    2.545400      6.0100000E-02 -0.2206000    
 C   -3.503900      0.3876000      0.6883000    
 C    3.504000     -0.3873000      0.6887000    
 C  -0.9700000       1.554200      0.6451000    
 C   0.9702000      -1.553900      0.6460000    
 C   -3.195400       1.418700       1.575500    
 C    3.195700      -1.418000       1.576400    
 C   -1.928500       2.002000       1.553900    
 C    1.928700      -2.001400       1.555100    
 H   -4.497000     -5.1500000E-02  0.7281000    
 H    4.497200      5.1800001E-02  0.7282000    
 H   5.2000000E-03   2.031600      0.6523000    
 H  -4.8000002E-03  -2.031900      0.6541000    
 H   -1.676500       2.806700       2.239900    
 H    1.676600      -2.805700       2.241500    
 H   -3.940900       2.619800       3.137900    
 H   -5.083400       1.450400       2.511400    
 H    5.083600      -1.449100       2.512300    
 H    3.941200      -2.618400       3.139300    
 H   -2.344200      -2.960500      0.1179000    
 H    2.344600       2.960400      0.1164000    


%chk=000067053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067053

0 1
S -0.001041 0.000456 -1.443111
S -3.125178 -1.427602 -1.148199
S 3.124913 1.425127 -1.153565
O -1.944731 -2.725688 -0.497094
O 1.945301 2.723501 -0.501711
O -4.617355 -1.831832 -0.677922
O -2.810567 -1.244095 -2.724210
O 4.617904 1.829092 -0.685366
O 2.809065 1.240577 -2.729144
N -4.120610 2.043699 2.597150
N 4.120804 -2.042723 2.594886
C -1.263773 0.582332 -0.224120
C 1.262747 -0.582075 -0.225496
C -2.545587 0.020611 -0.076988
C 2.545130 -0.021284 -0.080127
C -3.513223 0.467684 0.832525
C 3.513104 -0.468015 0.829195
C -0.968120 1.683588 0.622454
C 0.966940 -1.682221 0.622514
C -3.194553 1.567462 1.678676
C 3.194349 -1.566728 1.676702
C -1.902253 2.162786 1.554716
C 1.901483 -2.161199 1.554458
H -4.486026 -0.034101 0.880285
H 4.486380 0.032998 0.875490
H 0.018660 2.154417 0.531717
H -0.020299 -2.152333 0.533165
H -1.636177 3.013397 2.193132
H 1.635231 -3.010889 2.194026
H -3.898205 2.831156 3.199349
H -5.041484 1.622211 2.679961
H 5.042074 -1.621867 2.676495
H 3.898296 -2.829402 3.198066
H -1.715453 -3.294549 -1.288430
H 1.723752 3.299211 -1.290279


