%chk=000080645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080645

0 1
 S   0.5959000      -1.712600      4.3200001E-02
 O    3.069600       2.045100     -4.6300001E-02
 O   0.6362000      -2.408900       1.311400    
 O   0.6771000      -2.436500      -1.207600    
 N    1.778300     -0.4743000      4.6999998E-02
 C    1.718200      0.4684000       1.202200    
 C    1.938800      0.2650000      -1.239300    
 C    2.968600       1.336400       1.190700    
 C    3.180100       1.141200      -1.148100    
 C  -0.8741000     -0.7354000      1.0700000E-02
 C   -1.420800     -0.3733000      -1.209400    
 C   -1.457100     -0.3485000       1.206100    
 C   -3.182700      0.7950000     -3.9799999E-02
 C   -2.583300      0.3971000      -1.234800    
 C   -2.619500      0.4222000       1.180700    
 C   -4.425300       1.619200     -6.6600002E-02
 H    1.667800     -8.2300000E-02   2.146100    
 H   0.8457000       1.121900       1.107800    
 H    1.065100      0.9005000      -1.413500    
 H    2.054400     -0.4329000      -2.073600    
 H    2.919200       2.075700       1.996300    
 H    3.875200      0.7380000       1.340900    
 H    4.090000      0.5399000      -1.033900    
 H    3.285900       1.737300      -2.059900    
 H  -0.9685000     -0.6700000      -2.150800    
 H   -1.034600     -0.6259000       2.166900    
 H   -3.011100      0.6834000      -2.192000    
 H   -3.075900      0.7280000       2.118500    
 H   -4.170000       2.683500     -6.8300001E-02
 H   -5.025400       1.400900     -0.9565000    
 H   -5.056400       1.410800      0.8040000    


%chk=000080645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080645

0 1
S 0.570106 -1.608700 0.076110
O 3.525449 2.018279 -0.018365
O 0.657801 -2.310354 1.541291
O 0.710896 -2.420739 -1.326624
N 1.993947 -0.367339 0.055229
C 2.008813 0.513270 1.249708
C 2.083148 0.389479 -1.218148
C 3.369545 1.248208 1.224334
C 3.442941 1.125698 -1.183916
C -1.061850 -0.650718 0.013202
C -1.621622 -0.361755 -1.242775
C -1.666997 -0.286203 1.227793
C -3.487048 0.755271 -0.074078
C -2.843016 0.346951 -1.272925
C -2.887933 0.421098 1.170274
C -4.785797 1.538754 -0.120744
H 1.931282 -0.112692 2.155834
H 1.186008 1.264062 1.236824
H 1.264688 1.136858 -1.330252
H 2.056937 -0.324223 -2.059965
H 3.428440 1.984985 2.041982
H 4.188693 0.506101 1.320458
H 4.262941 0.379005 -1.153123
H 3.555682 1.775789 -2.066820
H -1.137552 -0.714890 -2.159306
H -1.216282 -0.582303 2.180827
H -3.306331 0.576071 -2.239521
H -3.386248 0.707719 2.103530
H -4.587182 2.627903 -0.141404
H -5.374919 1.296158 -1.021958
H -5.413141 1.337157 0.764628


