%chk=000022107.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022107

0 1
 S   0.8457000      6.6299997E-02   1.624400    
 O  -0.7766000       2.874200     -0.8122000    
 N   -1.427800      0.6530000     -0.5478000    
 N   -5.025400      0.9457000      0.4329000    
 C    1.701500       1.105700      0.3804000    
 C   0.9516000       1.244900     -0.9433000    
 C   -2.847200      0.9792000     -0.6784000    
 C   -1.082200     -0.7173000     -0.2944000    
 C  -0.4903000       1.675900     -0.7423000    
 C   -3.620000      0.5865000      0.5723000    
 C  -3.4600001E-02  -1.090000      0.5759000    
 C    3.141400      0.6598000      0.2026000    
 C   -1.832700      -1.735900     -0.9122000    
 C   0.2545000      -2.451100      0.7759000    
 C    4.110900       1.060000       1.119900    
 C    3.489800     -0.1484000     -0.8777000    
 C   -1.527100      -3.083000     -0.7125000    
 C  -0.4791000      -3.440300      0.1252000    
 C   -5.768200      0.6052000       1.648000    
 C   -5.616900      0.2761000     -0.7271000    
 C    5.434300      0.6503000      0.9562000    
 C    4.813100     -0.5581000      -1.041300    
 C    5.785300     -0.1588000     -0.1244000    
 H    1.727500       2.107900      0.8294000    
 H    1.438600       2.010500      -1.563100    
 H   0.9451000      0.3424000      -1.562000    
 H   -2.965700       2.056900     -0.8447000    
 H   -3.200800      0.5053000      -1.597800    
 H   -3.525400     -0.4821000      0.7966000    
 H   -3.188000       1.122200       1.428100    
 H   -2.646600      -1.513300      -1.596200    
 H    1.046600      -2.758700       1.455900    
 H    3.851600       1.690900       1.965900    
 H    2.771500     -0.5097000      -1.603800    
 H   -2.108000      -3.851000      -1.214900    
 H  -0.2431000      -4.487900      0.2869000    
 H   -6.810800      0.9326000       1.567000    
 H   -5.345200       1.123800       2.515700    
 H   -5.758900     -0.4719000       1.850800    
 H   -5.274100      0.7116000      -1.670300    
 H   -6.704900      0.4168000     -0.7341000    
 H   -5.423300     -0.8029000     -0.7329000    
 H    6.191300      0.9610000       1.670300    
 H    5.086100      -1.193400      -1.879000    
 H    6.815300     -0.4790000     -0.2509000    


%chk=000022107-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022107

0 1
S 0.456346 -0.455462 1.413076
O -1.050424 2.664222 -0.660964
N -1.519369 0.397565 -0.936228
N -4.967264 0.987774 0.570971
C 1.484455 0.920218 0.488092
C 0.861688 1.160362 -0.904145
C -2.976953 0.704376 -0.897304
C -1.086890 -0.972338 -0.946005
C -0.631995 1.475474 -0.811107
C -3.493628 0.856563 0.555812
C -0.161589 -1.477199 0.017911
C 2.963141 0.591979 0.458937
C -1.606511 -1.858386 -1.926741
C 0.223554 -2.839792 -0.024955
C 3.869899 1.354182 1.238698
C 3.473479 -0.465557 -0.341058
C -1.235192 -3.217995 -1.945716
C -0.317768 -3.715576 -0.990714
C -5.474380 1.852425 1.654794
C -5.667718 -0.310260 0.521706
C 5.255307 1.074094 1.217642
C 4.854819 -0.748336 -0.361513
C 5.752583 0.021653 0.416679
H 1.295917 1.803039 1.123233
H 1.353172 2.042962 -1.350883
H 1.053178 0.293285 -1.559710
H -3.152067 1.649791 -1.434990
H -3.521196 -0.104161 -1.411868
H -3.137230 -0.006142 1.170919
H -3.044895 1.770837 0.980143
H -2.290511 -1.466758 -2.687412
H 0.942408 -3.202913 0.716655
H 3.488446 2.172296 1.862179
H 2.787005 -1.079260 -0.936343
H -1.647954 -3.881876 -2.712993
H -0.019553 -4.769062 -1.002882
H -6.562190 2.004288 1.528900
H -4.984688 2.840209 1.602076
H -5.303746 1.433347 2.678928
H -5.314280 -0.908561 -0.336869
H -6.752323 -0.144437 0.390523
H -5.518625 -0.922526 1.447699
H 5.942461 1.674623 1.824128
H 5.234119 -1.568468 -0.981555
H 6.825764 -0.198593 0.399254


