%chk=000103956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103956

0 1
 S   0.4148000       1.881700     -0.2593000    
 O    1.008800      -2.495700     -0.1986000    
 N   -5.656700      0.9425000      0.1318000    
 C  -0.5391000     -0.7487000     -5.5000000E-02
 C    2.029900     -0.3996000     -1.8500000E-02
 C  -0.8192000      0.6190000     -0.1095000    
 C    1.936400      0.9935000     -7.0400000E-02
 C   0.8427000      -1.282800     -9.9900000E-02
 C   -1.594900      -1.672100      4.5400001E-02
 C   -2.158700       1.042000     -6.2100001E-02
 C    3.290500      -1.008100      0.1151000    
 C    3.112600       1.758400      1.2600000E-02
 C   -3.201300      0.1210000      3.9600000E-02
 C   -2.918700      -1.237500      9.3099996E-02
 C    4.448400     -0.2362000      0.1981000    
 C    4.359600       1.148600      0.1471000    
 C   -4.555300      0.5740000      9.0400003E-02
 H   -1.406600      -2.742000      9.2399999E-02
 H   -2.394300       2.105400     -0.1061000    
 H    3.393600      -2.089600      0.1608000    
 H    3.073700       2.845500     -2.7899999E-02
 H   -3.715600      -1.972800      0.1729000    
 H    5.416400     -0.7171000      0.3025000    
 H    5.257900       1.755500      0.2103000    


%chk=000103956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103956

0 1
S 0.407379 1.944473 -0.004678
O 1.015295 -2.587126 0.097387
N -5.742703 0.953070 -0.052977
C -0.531963 -0.757046 0.037727
C 2.034323 -0.413175 0.058723
C -0.842359 0.630644 0.007444
C 1.965131 1.006925 0.029498
C 0.852754 -1.322204 0.063571
C -1.612261 -1.687262 0.044183
C -2.187354 1.072523 -0.015785
C 3.324774 -1.020637 0.084896
C 3.145579 1.793187 0.025620
C -3.239764 0.128684 -0.008752
C -2.945757 -1.268265 0.021714
C 4.495648 -0.250116 0.081754
C 4.404245 1.166608 0.051563
C -4.606447 0.581829 -0.032430
H -1.346224 -2.748641 0.067577
H -2.419170 2.142099 -0.039593
H 3.354272 -2.114685 0.107278
H 3.075222 2.886075 0.002419
H -3.763807 -1.993930 0.026962
H 5.475763 -0.736840 0.102185
H 5.312326 1.778708 0.048515


