%chk=000040069.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040069

0 1
 S    6.616200     -0.3424000      0.2586000    
 O   -1.520000      0.1345000      3.9600000E-02
 O   3.2400001E-02   1.783100      0.3597000    
 N   0.6551000     -0.4528000      2.2200000E-02
 N   -5.748900     -0.7054000       1.029400    
 C    2.048900     -0.4268000      7.5599998E-02
 C   -2.562600       1.109300      0.1601000    
 C   -3.890300      0.4282000      3.7000000E-03
 C    2.775500      -1.606100     -8.8100001E-02
 C    2.716000      0.7787000      0.2934000    
 C    4.836100     -0.3747000      0.1841000    
 C    4.169100      -1.580200     -3.3799998E-02
 C    4.109500      0.8048000      0.3476000    
 C   -4.471500      0.2984000      -1.245500    
 C  -0.2398000      0.6055000      0.1604000    
 C   -4.552200     -8.0399998E-02   1.101200    
 C   -5.702200     -0.3386000      -1.359800    
 C   -6.294100     -0.8186000     -0.2026000    
 C    7.022700      0.7835000      -1.105900    
 H   -2.440000       1.879700     -0.6112000    
 H   -2.501600       1.597100       1.141000    
 H    2.268600      -2.552600     -0.2584000    
 H    2.221400       1.730300      0.4306000    
 H   0.2345000      -1.364800     -0.1393000    
 H    4.718200      -2.509500     -0.1630000    
 H    4.608800       1.754000      0.5262000    
 H   -3.981700      0.6834000      -2.135100    
 H   -4.138300     -6.3000000E-03   2.101700    
 H   -6.182700     -0.4564000      -2.324300    
 H   -7.253900      -1.323300     -0.2380000    
 H    6.664700       1.794200     -0.8941000    
 H    6.576800      0.4272000      -2.038600    
 H    8.108400      0.8192000      -1.228800    


%chk=000040069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040069

0 1
S 6.359425 0.253926 -0.642916
O -1.600834 -0.197088 1.716341
O -0.525810 1.579338 0.590432
N 0.578922 -0.433746 1.189883
N -5.451020 -1.032080 -0.661353
C 1.908060 -0.223866 0.731317
C -2.884745 0.576892 1.674568
C -3.676145 0.279626 0.421334
C 2.834393 -1.285917 0.909855
C 2.333325 0.986819 0.122218
C 4.597013 0.057084 -0.130532
C 4.168470 -1.145813 0.478608
C 3.674194 1.116065 -0.295767
C -3.431166 0.969973 -0.793959
C -0.496131 0.431627 1.103706
C -4.698336 -0.703654 0.428944
C -4.199894 0.644790 -1.932053
C -5.191350 -0.358606 -1.821899
C 6.180781 -0.029537 -2.507705
H -2.638256 1.649993 1.753426
H -3.411859 0.234847 2.578976
H 2.512661 -2.221980 1.383444
H 1.624160 1.806489 -0.008397
H 0.372964 -1.328600 1.640010
H 4.879726 -1.966355 0.615833
H 4.009805 2.057131 -0.744578
H -2.645530 1.732038 -0.834888
H -4.928552 -1.256215 1.349210
H -4.039580 1.155496 -2.886678
H -5.806543 -0.640428 -2.684126
H 5.496378 0.717259 -2.938123
H 5.810307 -1.047644 -2.700823
H 7.188269 0.094334 -2.935707


