%chk=000111583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111583

0 1
 S    1.601000       2.305800       1.914500    
 S    2.581400       2.654300      -1.426300    
 P    1.620300       1.593000     -8.8399999E-02
 O   6.7000002E-02   1.395900     -0.5529000    
 O    2.102200      3.2000002E-02 -6.7500003E-02
 C   -3.219000     -0.1800000      0.3613000    
 C   -4.599900     -0.2419000     -0.2975000    
 C   -2.196900      0.6206000     -0.4442000    
 C    3.626200      -1.817400      0.2330000    
 C   -5.629300      -1.022300      0.5207000    
 C  -0.8327000      0.6264000      0.2329000    
 C    3.432700     -0.2997000      0.2924000    
 C    3.380800      -2.355800      -1.178100    
 C    5.027300      -2.194900      0.7089000    
 C   -6.961100      -1.116300     -0.2088000    
 H   -2.846900      -1.202100      0.5047000    
 H   -3.318600      0.2633000       1.359900    
 H   -4.499300     -0.7025000      -1.288300    
 H   -4.967300      0.7791000     -0.4598000    
 H   -2.544400       1.652700     -0.5772000    
 H   -2.099600      0.2035000      -1.454200    
 H    2.889600      -2.288500      0.8963000    
 H   -5.778800     -0.5349000       1.490900    
 H   -5.256300      -2.033800      0.7188000    
 H  -0.9188000       1.065500       1.230500    
 H  -0.4480000     -0.3939000      0.3276000    
 H    4.132500      0.1978000     -0.3869000    
 H    3.626000      6.0899999E-02   1.307600    
 H    2.357700      -2.148500      -1.508300    
 H    4.068600      -1.902800      -1.900400    
 H    3.524300      -3.441100      -1.209200    
 H    5.798000      -1.752300      6.8599999E-02
 H    5.196700      -1.847100       1.733400    
 H    5.161900      -3.281700      0.6992000    
 H   -7.684000      -1.675500      0.3935000    
 H   -7.374900     -0.1209000     -0.3990000    
 H   -6.847800      -1.631100      -1.168100    
 H    2.926300       2.311100       2.117900    


%chk=000111583-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111583

0 1
S 1.611015 2.139685 2.163938
S 2.751874 2.825195 -1.334813
P 1.696086 1.574495 -0.097917
O 0.066934 1.328850 -0.590680
O 2.196909 -0.079685 0.079641
C -3.265069 -0.292338 0.329826
C -4.673435 -0.183843 -0.297831
C -2.218956 0.571482 -0.414984
C 3.821223 -1.883464 0.282386
C -5.736577 -1.025869 0.443612
C -0.830017 0.436461 0.208461
C 3.646586 -0.357597 0.281434
C 3.409374 -2.502133 -1.071388
C 5.290818 -2.216057 0.639005
C -7.137572 -0.919630 -0.196884
H -2.945103 -1.355150 0.325701
H -3.314587 0.016936 1.394555
H -4.627972 -0.504015 -1.359451
H -4.990639 0.879707 -0.306834
H -2.521808 1.635434 -0.393336
H -2.166974 0.269324 -1.478056
H 3.164166 -2.291349 1.076467
H -5.786579 -0.699888 1.502611
H -5.415500 -2.087517 0.459487
H -0.819331 0.772976 1.264350
H -0.444629 -0.597469 0.146821
H 4.218882 0.112738 -0.542980
H 3.961469 0.082053 1.248359
H 2.370731 -2.233090 -1.329010
H 4.068832 -2.139809 -1.883430
H 3.487207 -3.604179 -1.037173
H 5.985646 -1.803073 -0.117173
H 5.576313 -1.808729 1.626867
H 5.439276 -3.310395 0.667294
H -7.880966 -1.526983 0.351328
H -7.493378 0.128021 -0.200394
H -7.121152 -1.270873 -1.245872
H 1.723799 3.496679 1.903563


