%chk=000178634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178634

0 1
 S   -2.310500      0.3479000      0.1254000    
 O  -0.5055000       1.880200     -0.9271000    
 O   -3.189300       1.258700     -0.6807000    
 N   0.4544000     -9.8999999E-02 -0.1588000    
 C    1.821100      0.2121000     -0.5540000    
 C   0.2633000      -1.391100      0.4907000    
 C    2.549000      0.9325000      0.5781000    
 C  -3.6800001E-02  -2.467700     -0.5493000    
 C  -0.6043000      0.7823000     -0.3868000    
 C    3.973800       1.288300      0.1824000    
 C  -0.2618000      -3.822200      0.1047000    
 C   -2.153200       1.078200       1.775400    
 H    2.341100     -0.7076000     -0.8439000    
 H    1.786800      0.8637000      -1.435100    
 H    1.169600      -1.644400       1.053500    
 H  -0.5464000      -1.341700       1.222300    
 H    2.010100       1.848400      0.8491000    
 H    2.571300      0.3040000       1.475900    
 H  -0.9249000      -2.199400      -1.133000    
 H   0.7925000      -2.547200      -1.261900    
 H    4.549200      0.3891000     -5.9700001E-02
 H    3.985000       1.949700     -0.6898000    
 H    4.478300       1.803300       1.005900    
 H   0.6234000      -4.138600      0.6656000    
 H   -1.112100      -3.788600      0.7933000    
 H  -0.4709000      -4.580400     -0.6563000    
 H   -3.117400      0.9953000       2.282800    
 H   -1.879900       2.132900       1.690500    
 H   -1.396500      0.5427000       2.352300    


%chk=000178634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178634

0 1
S -1.892771 0.376319 1.968413
O -0.090211 2.193776 0.781843
O -2.360767 -1.219969 1.734493
N 0.648071 -0.014449 0.449861
C 1.891062 0.426373 -0.256400
C 0.423343 -1.480556 0.592249
C 3.061498 0.685655 0.718084
C -0.294100 -2.097033 -0.628111
C -0.203107 0.947923 0.880569
C 4.346069 1.091030 -0.036017
C -0.447424 -3.623375 -0.464715
C -3.052671 1.366472 0.800041
H 2.157339 -0.367302 -0.978845
H 1.663077 1.347308 -0.822025
H 1.417864 -1.946736 0.730494
H -0.185032 -1.682709 1.489037
H 2.766659 1.486169 1.421686
H 3.248707 -0.224908 1.320503
H -1.296764 -1.636663 -0.700940
H 0.260528 -1.861772 -1.558955
H 4.673462 0.296072 -0.732383
H 4.188605 2.014008 -0.624460
H 5.173348 1.280795 0.670527
H 0.534885 -4.123753 -0.363653
H -1.048633 -3.853494 0.433240
H -0.961439 -4.063910 -1.337434
H -4.024649 1.415775 1.311321
H -3.122347 0.787537 -0.132223
H -2.615204 2.362817 0.645300


