%chk=000100666.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100666

0 1
 S  -0.3976000      -1.084000     -0.7010000    
 O   -4.643700       1.745900     -0.8422000    
 O   -5.745700      0.3766000       1.311400    
 O  -0.2233000      -2.478800     -0.3378000    
 O  -0.3420000     -0.6758000      -2.093500    
 O    4.033700      -1.231600      -1.270300    
 N   0.6032000     -0.1339000      0.1739000    
 N    4.713800     -0.3536000     -0.4335000    
 N    1.804800     -0.3039000     -0.1124000    
 C   -2.004400     -0.6431000     -0.1005000    
 C   -2.693400      0.3855000     -0.7155000    
 C   -3.958400      0.7333000     -0.2417000    
 C   -2.534900      -1.336500      0.9715000    
 C   -4.511600      4.6000000E-02  0.8388000    
 C   -3.799900     -0.9889000       1.445400    
 C    4.001400      0.4562000      0.4629000    
 C    4.814500       1.349700       1.303900    
 C    2.664000      0.4700000      0.6016000    
 C    6.095500     -0.3077000     -0.5119000    
 C    6.156600       1.369000       1.200600    
 C    6.837200      0.5066000      0.2548000    
 C   -4.007500       2.397200      -1.940100    
 C   -6.862400     -0.2984000      0.7355000    
 H   -2.215400      0.8949000      -1.543100    
 H   -1.993800      -2.138300       1.464100    
 H   -4.223600      -1.526500       2.289500    
 H    4.319200       2.001300       2.017200    
 H    2.216200       1.142600       1.332900    
 H    6.533400     -0.9796000      -1.240400    
 H    6.757200       2.026300       1.819100    
 H    7.917300      0.5371000      0.1877000    
 H   -3.842900       1.710500      -2.777400    
 H   -3.088900       2.907200      -1.630200    
 H   -4.694800       3.171700      -2.296500    
 H   -7.772600      7.9000004E-02   1.209400    
 H   -6.794200      -1.375700      0.9168000    
 H   -6.919900     -0.1010000     -0.3395000    
 H    3.862600     -0.6749000      -2.049600    


%chk=000100666-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000100666

0 1
S -0.309963 -1.458563 0.758823
O -4.939825 1.174865 0.634432
O -5.613376 -0.069408 -1.856530
O 0.516407 -2.166057 -0.493484
O 0.252966 0.286990 0.952295
O 2.769285 0.019387 1.637052
N 3.743662 1.796622 3.933196
N 3.641171 -0.095701 0.590521
N 4.296361 1.537522 2.923714
C -1.937905 -0.957667 -0.032070
C -2.776345 -0.042542 0.630709
C -4.016596 0.296901 0.043842
C -2.279104 -1.555578 -1.253442
C -4.386878 -0.283262 -1.214900
C -3.513393 -1.201926 -1.838535
C 4.850573 0.598822 0.700993
C 5.787930 0.491113 -0.361601
C 5.107464 1.389219 1.873121
C 3.343975 -0.874623 -0.512546
C 5.501500 -0.289260 -1.493305
C 4.263057 -0.977694 -1.563002
C -4.586311 1.746447 1.938631
C -6.115945 1.313598 -2.003580
H -2.448187 0.418620 1.565965
H -1.578574 -2.243425 -1.738143
H -3.831065 -1.627859 -2.794901
H 6.734777 1.031884 -0.274486
H 6.049839 1.936549 1.946841
H 2.371168 -1.388510 -0.498331
H 6.227835 -0.365464 -2.307369
H 3.998536 -1.598230 -2.422352
H -3.670752 2.364613 1.871400
H -4.446324 0.951669 2.696131
H -5.443155 2.377585 2.215775
H -7.020749 1.213812 -2.622118
H -5.368959 1.939892 -2.527856
H -6.355252 1.755808 -1.024207
H 1.241850 0.228251 1.279215


