%chk=000125137.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125137

0 1
 S   0.7242000      0.1854000      0.4060000    
 O   -1.560000      -3.126200      7.9000004E-02
 O    3.929700      -1.288200       1.490300    
 O    3.813700      -1.441800     -0.7701000    
 N   -2.670600       1.114800      0.3552000    
 N    4.520200       1.399400     -0.4632000    
 C  -0.6128000      0.7180000     -0.7032000    
 C  -0.8742000       2.247600     -0.5855000    
 C   -1.914600      0.1643000     -0.2673000    
 C   -2.021000       2.409000      0.4319000    
 C   -2.641100     -0.9975000     -0.2912000    
 C   -3.865900      0.6294000      0.7448000    
 C   -3.881300     -0.7016000      0.3569000    
 C    2.096200       1.025800     -0.4168000    
 C   -2.234200      -2.291100     -0.8678000    
 C    3.438200      0.7184000      0.2504000    
 C    3.753600     -0.7656000      0.2504000    
 H  -0.3783000      0.4333000      -1.733600    
 H   -1.235100       2.605700      -1.560400    
 H  -1.6899999E-02   2.872300     -0.3279000    
 H   -1.656800       2.537900       1.455100    
 H   -2.730000       3.193200      0.1567000    
 H   -4.603000       1.235300       1.253100    
 H   -4.702700      -1.385900      0.5205000    
 H    1.937800       2.107400     -0.3987000    
 H    2.113500      0.7035000      -1.464700    
 H   -3.109800      -2.844000      -1.224000    
 H   -1.569900      -2.152000      -1.727700    
 H    3.428300       1.081400       1.285700    
 H    5.395600       1.274600      4.4399999E-02
 H    4.342100       2.403000     -0.4776000    
 H  -0.7456000      -2.664900      0.3441000    
 H    4.115700      -2.250800       1.458700    


%chk=000125137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125137

0 1
S 0.722238 1.641419 0.991790
O -0.072751 -2.684030 0.826417
O 2.186357 -1.527314 0.986569
O 1.905496 -0.842439 -1.219497
N -2.673418 1.003956 0.126552
N 4.473161 0.666733 -0.576720
C -0.426457 1.270055 -0.542988
C -1.242482 2.547111 -0.918874
C -1.510520 0.297994 -0.187709
C -2.523980 2.467156 -0.034328
C -1.796265 -1.079944 -0.066304
C -3.700198 0.131951 0.460724
C -3.181413 -1.169291 0.346884
C 2.415246 1.797946 0.134733
C -0.897990 -2.239792 -0.365007
C 3.286843 0.524423 0.286425
C 2.401525 -0.687661 -0.061503
H 0.261783 0.911084 -1.322993
H -1.530132 2.489713 -1.986258
H -0.671559 3.473030 -0.750957
H -2.371755 2.950969 0.948530
H -3.411508 2.907361 -0.519086
H -4.696240 0.477489 0.727455
H -3.742147 -2.090280 0.509200
H 2.931938 2.664628 0.574542
H 2.224985 1.998646 -0.934102
H -1.479715 -3.121937 -0.685577
H -0.132874 -1.998563 -1.120037
H 3.613046 0.420612 1.333836
H 4.246108 0.571687 -1.574033
H 5.261976 0.072213 -0.304041
H -0.609956 -2.573444 1.649197
H 1.325654 -2.121379 0.870660


