%chk=000080241.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080241

0 1
 S   -2.789700      0.4258000     -0.1814000    
 O   -1.375700     -0.1496000      0.4214000    
 O   -3.789600     -0.5593000      0.2279000    
 O   -2.551500      0.4709000      -1.623300    
 O   -2.943900       1.740600      0.4396000    
 N    1.406500     -0.7242000      0.3374000    
 C   0.4133000      -1.730400      0.7025000    
 C  -0.9042000      -1.425800      1.0300000E-02
 C    1.516700      0.3781000       1.091400    
 C    2.175100     -0.9364000     -0.7395000    
 C    2.452100       1.350800      0.7686000    
 C    3.127100      2.6000000E-03  -1.110100    
 C    3.263800       1.156800     -0.3449000    
 H   0.7920000      -2.719600      0.4227000    
 H   0.3009000      -1.712700       1.792900    
 H  -0.7731000      -1.430600      -1.077100    
 H   -1.642000      -2.189400      0.2774000    
 H   0.8598000      0.4732000       1.947800    
 H    2.018000      -1.852200      -1.296600    
 H    2.549100       2.246000       1.373500    
 H    3.752900     -0.1597000      -1.981200    
 H    4.002500       1.905200     -0.6165000    


%chk=000080241-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080241

0 1
S -1.807518 0.825859 -0.308385
O -1.510076 -0.707808 1.015363
O -3.399161 0.828500 -0.576469
O -0.851214 0.325360 -1.548341
O -1.194395 2.039096 0.596231
N 1.321796 -0.885534 0.381867
C 0.516337 -2.071012 0.792907
C -0.974740 -1.878031 0.372801
C 1.140744 0.291775 1.069744
C 2.082502 -0.926708 -0.766707
C 1.757596 1.472879 0.619707
C 2.727557 0.220050 -1.231576
C 2.567629 1.441594 -0.530217
H 0.950448 -2.973729 0.329122
H 0.575078 -2.162802 1.890367
H -1.034033 -1.791726 -0.733062
H -1.537060 -2.774365 0.704642
H 0.469745 0.260561 1.927731
H 2.135223 -1.887358 -1.282034
H 1.552952 2.397958 1.159639
H 3.325160 0.161023 -2.143978
H 3.045530 2.354516 -0.896553


