%chk=000167600.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167600

0 1
 S    4.203500      0.8660000     -0.2824000    
 O    5.647800      0.7430000     -0.3491000    
 O    3.450500       1.338900      -1.427100    
 N   -4.271600     -0.2991000     -0.1999000    
 N    3.557600     -0.6169000      0.3094000    
 C   -2.833800     -8.5100003E-02 -0.1478000    
 C   -2.088200      -1.410300      1.3900000E-02
 C   -4.979100      0.9715000     -0.3522000    
 C  -0.5969000      -1.200400      9.1799997E-02
 C   -4.662800       1.896800      0.8194000    
 C   -6.478200      0.7089000     -0.4539000    
 C   0.1539000      -1.208900      -1.074100    
 C  -6.9999998E-04  -1.002500       1.328000    
 C    2.145900     -0.8151000      0.2352000    
 C    1.533500      -1.015300      -1.001900    
 C    1.378700     -0.8087000       1.400200    
 C    3.839800       1.937200       1.090400    
 H   -2.489800      0.4219000      -1.058500    
 H   -2.551500      0.5394000      0.7060000    
 H   -2.319100      -2.082400     -0.8234000    
 H   -2.430900      -1.932600      0.9173000    
 H   -4.667500       1.460600      -1.284100    
 H   -4.500100     -0.9167000     -0.9783000    
 H   -4.773900       1.387400       1.783500    
 H   -5.350300       2.751000      0.8244000    
 H   -3.655400       2.320400      0.7587000    
 H   -6.707900      5.9200000E-02  -1.305900    
 H   -6.863800      0.2280000      0.4522000    
 H   -7.027400       1.645900     -0.5963000    
 H  -0.3136000      -1.364800      -2.042100    
 H  -0.5898000     -0.9937000       2.240700    
 H    2.118900      -1.035400      -1.917400    
 H    1.844900     -0.6519000       2.369600    
 H    3.981600     -0.9601000       1.181800    
 H    4.265300       2.919200      0.8713000    
 H    2.758100       2.024300       1.204500    
 H    4.300200       1.529300       1.992200    


%chk=000167600-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167600

0 1
S 4.519054 0.724967 -0.168834
O 5.988233 0.704825 0.522074
O 4.315605 0.820067 -1.772725
N -4.225572 -0.130251 -0.143719
N 3.690700 -0.914627 0.413784
C -2.758783 0.022159 -0.072356
C -2.076059 -1.369265 0.001434
C -5.013611 1.128823 -0.250636
C -0.565492 -1.262581 0.118112
C -4.982084 1.907194 1.083380
C -6.461658 0.769752 -0.641233
C 0.244438 -1.063331 -1.033384
C 0.075590 -1.322123 1.382651
C 2.272114 -0.990328 0.337232
C 1.643599 -0.943557 -0.939716
C 1.471251 -1.162111 1.501645
C 3.496576 2.170047 0.596763
H -2.334066 0.592545 -0.938143
H -2.501125 0.593465 0.839213
H -2.346227 -1.943565 -0.908420
H -2.503539 -1.910092 0.865114
H -4.592166 1.795274 -1.047601
H -4.487527 -0.785330 -0.895450
H -5.388564 1.275562 1.893674
H -5.590528 2.827085 1.007361
H -3.955911 2.207950 1.361815
H -6.497117 0.236247 -1.611019
H -6.911468 0.117362 0.129272
H -7.079359 1.680353 -0.735331
H -0.228803 -1.030284 -2.022375
H -0.527512 -1.484679 2.283975
H 2.265572 -0.830966 -1.833029
H 1.946804 -1.196822 2.490444
H 4.102057 -1.092612 1.346848
H 3.925100 3.081144 0.156863
H 2.452750 2.009465 0.294738
H 3.645625 2.117238 1.683680


