%chk=000013939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013939

0 1
 S   -4.866700      0.4850000      4.8000002E-03
 O    2.851300       1.348400      9.7000003E-03
 N  -0.9463000     -0.5601000     -7.0000002E-03
 N    3.905600     -0.6949000      6.0000001E-03
 C   0.2728000      0.2389000     -1.0500000E-02
 C   -2.126800      0.2924000     -2.0300001E-02
 C    1.500000     -0.6664000     -7.6000001E-03
 C   -3.385100     -0.5656000      2.1500001E-02
 C    2.795300      0.1222000      3.4000000E-03
 H   0.3009000      0.8805000     -0.9000000    
 H   0.3010000      0.8946000      0.8689000    
 H   -2.127200      0.9056000     -0.9302000    
 H   -2.108900      0.9671000      0.8451000    
 H    1.491400      -1.315400      0.8771000    
 H    1.498800      -1.309400     -0.8965000    
 H  -0.9616000      -1.160100      0.8174000    
 H   -3.411100      -1.180800      0.9272000    
 H   -3.429100      -1.234800     -0.8442000    
 H   -4.623500       1.116000       1.163000    
 H    4.841500     -0.3033000      1.3200000E-02
 H    3.834500      -1.707400      6.9999998E-04


%chk=000013939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013939

0 1
S -4.987928 0.537273 -0.175526
O 2.915980 0.993640 -1.019643
N -0.942851 -0.483625 0.185321
N 3.971072 -0.697529 0.162119
C 0.347121 0.234889 0.080726
C -2.144829 0.377026 0.128512
C 1.508494 -0.770686 -0.030292
C -3.402264 -0.492290 -0.033876
C 2.838709 -0.070281 -0.337550
H 0.337602 0.852377 -0.834739
H 0.536021 0.932322 0.932975
H -2.051918 1.042740 -0.749079
H -2.260300 1.039967 1.023215
H 1.591947 -1.382058 0.890693
H 1.276799 -1.465387 -0.861374
H -0.964647 -1.105241 1.006991
H -3.521101 -1.200217 0.805194
H -3.350954 -1.066597 -0.972241
H -4.894195 1.122810 1.078202
H 4.883683 -0.296222 -0.053937
H 3.920358 -1.550412 0.716009


