%chk=000044787.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044787

0 1
 S    5.253100     -0.4851000     -3.5000000E-02
 N   -5.026800     -0.4201000     -2.4700001E-02
 C  -2.4200000E-02 -0.3573000      4.8099998E-02
 C   -1.293100      0.4975000      1.6500000E-02
 C    1.233500      0.5132000      2.8100001E-02
 C   -2.550500     -0.3769000     -5.4000001E-03
 C    2.503400     -0.3420000      2.5400000E-02
 C   -3.846500      0.4354000     -2.2299999E-02
 C    3.751000      0.5353000     -3.0800000E-02
 H  -2.4200000E-02 -0.9844000      0.9478000    
 H  -1.5900001E-02  -1.032000     -0.8166000    
 H   -1.317200       1.153900      0.8947000    
 H   -1.283200       1.142500     -0.8704000    
 H    1.237000       1.175600      0.9023000    
 H    1.221500       1.153100     -0.8627000    
 H   -2.520700      -1.030200     -0.8870000    
 H   -2.545200      -1.032800      0.8748000    
 H    2.519800     -0.9654000      0.9283000    
 H    2.480200      -1.017600     -0.8391000    
 H   -3.870300       1.073700     -0.9123000    
 H   -3.883100       1.092700      0.8538000    
 H    3.790600       1.203400      0.8355000    
 H    3.749400       1.152200     -0.9351000    
 H   -5.864300      0.1584000      2.4300000E-02
 H   -5.030600      -1.001100      0.8127000    
 H    5.005300      -1.121800      -1.189200    


%chk=000044787-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044787

0 1
S 5.419824 -0.481840 0.046712
N -5.096958 -0.413446 0.043948
C -0.035857 -0.345796 0.009788
C -1.333187 0.494185 0.013170
C 1.247718 0.515671 -0.006018
C -2.612669 -0.371331 0.024470
C 2.540658 -0.336419 -0.005631
C -3.908610 0.464663 0.035055
C 3.810313 0.528768 -0.031166
H -0.023550 -1.004591 0.902893
H -0.037867 -1.018433 -0.872856
H -1.331360 1.166567 0.896796
H -1.344182 1.153787 -0.879778
H 1.248858 1.187182 0.877720
H 1.235654 1.174335 -0.899527
H -2.635676 -1.036421 -0.860351
H -2.598320 -1.032901 0.917377
H 2.561334 -0.986087 0.890881
H 2.534150 -1.012261 -0.885268
H -3.945430 1.080110 -0.885065
H -3.864732 1.178258 0.896248
H 3.868656 1.180711 0.857537
H 3.850877 1.166703 -0.930636
H -5.987472 0.072836 -0.098759
H -5.133976 -1.045521 0.850623
H 5.220803 -1.158527 -1.146464


