%chk=000000479.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000479

0 1
 S   -3.567500       2.647600      -1.155800    
 O    3.893200     -0.7930000      6.3900001E-02
 O    2.080400       2.914900      -1.039800    
 O    1.860000      -1.609700      -1.519600    
 O   -2.055200      -1.083000       1.423100    
 N   0.5581000      -1.884900      0.3811000    
 N   -3.394400     -0.3993000     -0.3469000    
 C    2.277300      0.9921000      0.4681000    
 C    2.570500     -0.5365000      0.5284000    
 C    2.348500       1.517800     -0.9867000    
 C   0.8957000       1.314400       1.071300    
 C    3.338900       1.731100       1.317600    
 C    1.637900      -1.387600     -0.3307000    
 C  -0.4478000      -2.737900     -0.2088000    
 C   -1.604900      -1.942400     -0.7975000    
 C   -2.350000      -1.106600      0.2313000    
 C   -4.270400      0.4634000      0.4113000    
 C   -3.770100       1.899500      0.4895000    
 H    2.529400     -0.8877000       1.566300    
 H    3.339300       1.359800      -1.423500    
 H    1.606900       1.023100      -1.621500    
 H   0.7926000      0.8818000       2.072800    
 H   0.7360000       2.394600       1.163500    
 H   8.6400002E-02  0.9200000      0.4482000    
 H    3.133100       2.806000       1.374100    
 H    3.356000       1.346900       2.343900    
 H    4.344300       1.613000      0.8987000    
 H   0.4519000      -1.640200       1.361100    
 H  -0.8034000      -3.406600      0.5824000    
 H   1.5600000E-02  -3.350900     -0.9892000    
 H    3.936600     -0.5843000     -0.8839000    
 H   -2.320700      -2.632400      -1.259300    
 H   -1.236000      -1.266600      -1.578800    
 H    2.136200       3.181200      -1.973300    
 H   -3.554900     -0.4773000      -1.347000    
 H   -5.257400      0.4217000     -6.2899999E-02
 H   -4.375200      5.9500001E-02   1.424500    
 H   -2.800000       1.938200      0.9961000    
 H   -4.473600       2.510100       1.063900    
 H   -3.133100       3.841700     -0.7268000    


%chk=000000479-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000479

0 1
S -2.502049 2.834562 -1.580159
O 3.685205 -0.250522 -0.396613
O 0.547304 2.772287 -0.655363
O 1.854100 -1.773151 -1.474163
O -2.270354 -1.442518 1.288667
N 0.584374 -2.036572 0.451620
N -2.847191 -0.156998 -0.569695
C 1.798712 1.003135 0.641792
C 2.497763 -0.398282 0.435476
C 1.181798 1.437847 -0.714246
C 0.710431 0.941020 1.743734
C 2.897974 2.007150 1.079941
C 1.600545 -1.462138 -0.257376
C -0.382459 -2.955334 -0.180386
C -1.495934 -2.186480 -0.924844
C -2.235487 -1.235106 0.029691
C -3.612551 0.858798 0.167341
C -2.912809 2.232846 0.183183
H 2.811614 -0.766324 1.433979
H 1.953808 1.413672 -1.507608
H 0.353966 0.767059 -1.001735
H 1.125768 0.537062 2.687332
H 0.341834 1.960568 1.954422
H -0.168968 0.337382 1.457293
H 2.462938 3.008742 1.260106
H 3.364505 1.681312 2.027716
H 3.696723 2.072586 0.322680
H 0.369851 -1.718869 1.399072
H -0.826170 -3.575083 0.614900
H 0.163886 -3.597697 -0.890379
H 3.489794 -0.771946 -1.233548
H -2.222234 -2.915084 -1.335951
H -1.065377 -1.637968 -1.783361
H 1.236192 3.480079 -0.628466
H -2.678667 0.043699 -1.560660
H -4.616568 0.955420 -0.288188
H -3.735461 0.487030 1.200230
H -1.963492 2.187612 0.738996
H -3.569909 2.985736 0.648052
H -1.113205 2.925972 -1.354382


