%chk=000104480.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104480

0 1
 S   -4.056700      0.5201000     -0.4201000    
 O    2.137600      0.6049000      0.3851000    
 O    1.291500      -1.697400      0.7097000    
 O   -5.045900     -0.5074000     -0.1269000    
 O   -4.163100       1.827900      0.2114000    
 O   0.7798000       2.202000       1.336500    
 N   -3.969200      0.7341000      -2.113000    
 C    4.516400      0.6772000      0.1214000    
 C    4.434200      0.4170000      -1.380000    
 C    3.283300       1.407900      0.6336000    
 C  -0.1680000      0.1912000      0.4744000    
 C   -2.471200     -0.1302000     -8.4799998E-02
 C   -1.413200      0.7289000      0.2128000    
 C   6.1700001E-02  -1.169900      0.4507000    
 C   -2.262800      -1.509000     -0.1144000    
 C   0.9443000       1.123100      0.7884000    
 C  -0.9964000      -2.028900      0.1535000    
 C    5.686500     -0.2743000      -1.895000    
 C    1.411100      -3.117300      0.6567000    
 H    4.610600     -0.2834000      0.6426000    
 H    5.409400       1.269300      0.3522000    
 H    4.302800       1.364400      -1.915700    
 H    3.565500     -0.2096000      -1.612500    
 H    3.383100       1.579300       1.711500    
 H    3.177100       2.374000      0.1265000    
 H   -1.564900       1.804400      0.2273000    
 H   -3.071400      -2.195200     -0.3503000    
 H  -0.9105000      -3.109100      0.1106000    
 H    6.575400      0.3389000      -1.715800    
 H    5.830900      -1.241500      -1.403100    
 H    5.606800     -0.4498000      -2.972400    
 H   -4.522800      0.1009000      -2.702900    
 H   -3.917800       1.696000      -2.469900    
 H    2.453600      -3.360400      0.8875000    
 H    1.211600      -3.502500     -0.3491000    
 H   0.7957000      -3.603900       1.421200    


%chk=000104480-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104480

0 1
S -4.247716 0.494698 0.417413
O 2.180071 0.818932 -0.034104
O 1.315057 -1.658662 -0.613785
O -5.131772 -0.698419 1.088468
O -4.094490 1.973438 1.080631
O 0.663328 2.466011 -0.656725
N -4.938744 0.682376 -1.282113
C 4.571610 1.112105 0.246200
C 4.938774 -0.032812 -0.725403
C 3.277879 1.834764 -0.126437
C -0.154051 0.220837 -0.234129
C -2.528631 -0.177682 0.102986
C -1.463720 0.718081 -0.026473
C 0.035707 -1.197318 -0.337816
C -2.367028 -1.569785 0.037722
C 0.911350 1.270609 -0.349833
C -1.074899 -2.075648 -0.186830
C 6.234519 -0.762425 -0.312300
C 1.525696 -3.108275 -0.744181
H 4.479728 0.713451 1.275333
H 5.386572 1.864617 0.264877
H 5.052797 0.379784 -1.748793
H 4.092440 -0.744224 -0.763476
H 3.038445 2.666426 0.560861
H 3.295160 2.229717 -1.159403
H -1.609810 1.800936 0.046673
H -3.226162 -2.234009 0.174828
H -0.935439 -3.157526 -0.248373
H 7.093776 -0.065784 -0.279566
H 6.131921 -1.213777 0.692771
H 6.485818 -1.571774 -1.022210
H -5.892608 0.282796 -1.269679
H -4.922627 1.684101 -1.537571
H 2.596808 -3.212074 -0.968172
H 0.926380 -3.528592 -1.573906
H 1.288864 -3.633193 0.200214


