%chk=000146617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146617

0 1
 S   -2.849900      -2.096800     -0.1447000    
 O    3.159100       1.068100     -0.8440000    
 O    3.769500      -2.111300      0.6174000    
 O    2.900700       1.915000       1.299400    
 N    2.805500     -0.2025000     -0.3251000    
 C    1.451400     -0.6535000     -0.2792000    
 C   -1.161700      -1.528600     -0.1955000    
 C    1.072800      -1.521400      0.7229000    
 C   0.5700000     -0.2075000      -1.241000    
 C  -0.2491000      -1.964000      0.7653000    
 C  -0.7521000     -0.6502000      -1.198700    
 C   -3.732600     -0.5539000      3.7999999E-02
 C    3.859000     -0.9811000      0.1360000    
 C   -3.489700      0.2564000       1.144300    
 C   -4.659500     -0.1674000     -0.9266000    
 C    5.232900     -0.3567000      1.6200000E-02
 C   -4.178100       1.461200       1.286600    
 C   -5.348100       1.037400     -0.7841000    
 C   -5.107300       1.851700      0.3225000    
 C    3.162300       2.050900      0.1117000    
 C    3.545000       3.354200     -0.5213000    
 H    1.722500      -1.836000       1.530900    
 H   0.8770000      0.4708000      -2.031500    
 H  -0.5546000      -2.636900       1.563100    
 H   -1.443300     -0.3033000      -1.963000    
 H   -2.774800     -3.0400001E-02   1.911300    
 H   -4.859300     -0.7889000      -1.795800    
 H    5.993800      -1.117300      0.2185000    
 H    5.347500      0.4454000      0.7491000    
 H    5.403200      2.4000000E-02 -0.9945000    
 H   -3.991800       2.094600       2.149000    
 H   -6.071500       1.341700      -1.534900    
 H   -5.643500       2.789600      0.4336000    
 H    3.542700       4.140700      0.2387000    
 H    4.550700       3.279900     -0.9428000    
 H    2.820400       3.617000      -1.296100    


%chk=000146617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146617

0 1
S -2.875679 -1.981305 -0.561281
O 3.311336 0.907852 -0.786864
O 3.928018 -2.151623 1.021083
O 2.979797 1.991669 1.294255
N 2.998682 -0.351635 -0.118654
C 1.619969 -0.737585 -0.204616
C -1.122232 -1.441456 -0.396962
C 1.113989 -1.838186 0.539911
C 0.746659 -0.005380 -1.055394
C -0.252884 -2.174019 0.440990
C -0.611066 -0.361672 -1.152742
C -3.804554 -0.433157 -0.163403
C 4.091661 -1.031024 0.461426
C -3.332507 0.509691 0.779650
C -5.058198 -0.247632 -0.794383
C 5.441565 -0.339360 0.363096
C -4.115886 1.646432 1.080735
C -5.842006 0.884569 -0.473917
C -5.373232 1.837329 0.460089
C 3.210980 2.073355 0.083554
C 3.431841 3.302479 -0.762755
H 1.781995 -2.413294 1.180579
H 1.131940 0.819368 -1.659219
H -0.642344 -3.008884 1.032416
H -1.272909 0.199926 -1.819583
H -2.366744 0.358494 1.272753
H -5.413754 -0.975090 -1.532308
H 6.201323 -1.048675 0.722336
H 5.469484 0.560599 1.004058
H 5.673382 -0.032215 -0.670369
H -3.746373 2.375664 1.810518
H -6.812668 1.023311 -0.963074
H -5.979619 2.717094 0.701507
H 4.025199 4.037735 -0.196438
H 3.930985 3.054548 -1.711200
H 2.452950 3.762976 -0.990095


