%chk=000099568.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099568

0 1
 S   -3.624400      0.7164000      0.1054000    
 S   -1.501100       2.722800     -0.4747000    
 O   -1.336200      -2.337000      0.2870000    
 N   -1.146000     -3.1999999E-03 -6.0000001E-03
 C   0.2898000       0.000000     -9.9999997E-05
 C   -1.825700      -1.222900      0.1142000    
 C   -3.315200      -1.047000      3.1800002E-02
 C   0.9916000      -1.100100     -0.4931000    
 C   0.9830000       1.102900      0.4986000    
 C   -1.930600       1.144600     -0.1085000    
 C    3.079500      5.7000001E-03  1.1200000E-02
 C    2.386500      -1.097200     -0.4874000    
 C    2.377800       1.105900      0.5042000    
 C    4.571100      9.1000004E-03  1.7400000E-02
 H   -3.676600      -1.460600     -0.9132000    
 H   -3.796400      -1.551500      0.8732000    
 H   0.5085000      -1.952000     -0.9591000    
 H   0.5068000       1.927200       1.014000    
 H    2.922700      -1.952500     -0.8902000    
 H    2.907400       1.959400      0.9194000    
 H    4.961000      0.5879000      0.8615000    
 H    4.968600      -1.006900      0.1152000    
 H    4.949500      0.4454000     -0.9123000    


%chk=000099568-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099568

0 1
S -3.713979 0.685738 -0.477846
S -1.342181 2.474279 -1.272777
O -1.316451 -2.200567 0.845013
N -1.170767 -0.032455 -0.099104
C 0.283327 -0.007997 -0.063339
C -1.871518 -1.178162 0.384304
C -3.384932 -1.009995 0.275568
C 1.012220 -0.932125 -0.840008
C 0.950206 0.916486 0.767956
C -1.922846 1.046342 -0.610595
C 3.118480 0.001350 0.035382
C 2.421557 -0.923705 -0.783688
C 2.359168 0.915967 0.811158
C 4.636028 0.028363 0.063604
H -3.804488 -1.797813 -0.369421
H -3.838675 -1.074501 1.276764
H 0.485565 -1.652940 -1.473083
H 0.374313 1.626424 1.369153
H 2.986887 -1.646211 -1.383510
H 2.876090 1.634758 1.457495
H 5.018282 0.354813 1.046541
H 5.063647 -0.964952 -0.157894
H 5.031667 0.733303 -0.693175


