%chk=000029898.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029898

0 1
 S    2.809000      0.2989000      3.8199998E-02
 O   -3.165800      -1.000000      1.0700000E-02
 N   -1.826400      -1.388800     -3.9200000E-02
 C  -0.7947000       2.135400     -0.3915000    
 C   0.6367000       2.067300      0.1610000    
 C   -1.695600       1.054900      0.2162000    
 C    1.146200      0.6622000      7.1199998E-02
 C   0.3519000     -0.4673000      1.8300001E-02
 C   -1.093200     -0.3282000      4.4100001E-02
 C    1.140300      -1.653800     -6.5800004E-02
 C    2.491700      -1.380600     -6.3100003E-02
 H   -1.217400       3.127400     -0.1968000    
 H  -0.7663000       2.005100      -1.481600    
 H   0.6435000       2.386000       1.210300    
 H    1.275600       2.757300     -0.4018000    
 H   -2.674200       1.144700     -0.2642000    
 H   -1.828900       1.233200       1.289800    
 H   0.7443000      -2.659800     -0.1227000    
 H    3.307200      -2.088200     -0.1147000    
 H   -3.620800      -1.856300     -5.8400001E-02


%chk=000029898-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029898

0 1
S 2.916091 0.284033 0.047774
O -3.239541 -1.143867 0.052790
N -1.795018 -1.425380 -0.030277
C -0.781063 2.190195 -0.404117
C 0.657233 2.130902 0.175371
C -1.695119 1.093317 0.193246
C 1.165951 0.716884 0.079410
C 0.364357 -0.422730 0.002217
C -1.101103 -0.299582 0.041135
C 1.121136 -1.658691 -0.083527
C 2.485324 -1.467053 -0.068882
H -1.221624 3.184681 -0.205156
H -0.730966 2.064605 -1.502182
H 0.647965 2.463463 1.234600
H 1.317494 2.831859 -0.368547
H -2.694972 1.111638 -0.272653
H -1.855540 1.285781 1.274666
H 0.642080 -2.637018 -0.149421
H 3.286547 -2.201650 -0.120218
H -3.626131 -2.051985 -0.036226


