%chk=000043689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043689

0 1
 S   -7.625700      0.2099000      2.0700000E-02
 S    7.596100      0.2145000      5.0200000E-02
 O   -6.144400     -0.4765000      5.5000000E-02
 O    6.118800     -0.4786000     -2.7999999E-03
 O   -7.865000      0.7730000      -1.292500    
 O   -7.830100      0.9754000       1.233700    
 O    7.778900      0.8610000       1.333800    
 O    7.850800      0.9021000      -1.199400    
 N    2.524500      0.3076000     -7.4299999E-02
 C   -1.226200     -0.5377000     -3.6499999E-02
 C   -2.478700      0.3414000     -4.5699999E-02
 C   4.7899999E-02  0.3120000     -7.2300002E-02
 C   -3.750100     -0.5016000      2.3700001E-02
 C    1.328000     -0.5253000     -7.9400003E-02
 C   -5.001400      0.3635000     -2.8100001E-02
 C    3.728100     -0.5120000     -7.1000002E-02
 C    4.971900      0.3609000     -2.1700000E-02
 C   -8.554900      -1.296200      0.1542000    
 C    8.531700      -1.293500      5.2299999E-02
 H   -1.242100      -1.211600     -0.9015000    
 H   -1.221300      -1.164800      0.8631000    
 H   -2.450900       1.032300      0.8057000    
 H   -2.490400      0.9516000     -0.9570000    
 H   2.8800000E-02  0.9527000     -0.9633000    
 H   5.6899998E-02  0.9804000      0.7983000    
 H   -3.758700      -1.100400      0.9431000    
 H   -3.774500      -1.221900     -0.8036000    
 H    1.324100      -1.172800     -0.9650000    
 H    1.326100      -1.174200      0.8050000    
 H   -5.011500       1.069700      0.8094000    
 H   -5.035900      0.9287000     -0.9659000    
 H    2.523400      0.9194000     -0.8898000    
 H    3.736000      -1.185300      0.7955000    
 H    3.770200      -1.149700     -0.9630000    
 H    5.019700       1.014300     -0.9005000    
 H    4.968900      0.9846000      0.8797000    
 H   -8.294700      -1.790600       1.092000    
 H   -9.616800      -1.041700      0.1486000    
 H   -8.319500      -1.934200     -0.6997000    
 H    8.261000      -1.876600      0.9345000    
 H    8.312000      -1.847500     -0.8622000    
 H    9.592100      -1.035100      8.6599998E-02


%chk=000043689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043689

0 1
S -7.828299 0.381686 0.004630
S 7.759443 0.430331 0.081421
O -6.200907 -0.534729 -0.085283
O 6.189291 -0.468491 0.591898
O -8.180022 1.041261 -1.431470
O -7.851057 1.303464 1.337510
O 8.374233 1.290788 1.304590
O 7.482979 1.148790 -1.347912
N 2.576721 0.080544 -0.124364
C -1.225023 -0.647105 -0.115765
C -2.478566 0.256600 -0.122912
C 0.091463 0.161291 -0.127609
C -3.795928 -0.556571 -0.101896
C 1.344506 -0.735921 -0.111180
C -5.021778 0.367203 -0.109251
C 3.848695 -0.653867 -0.022644
C 4.955290 0.329452 0.409487
C -8.839306 -1.200330 0.266091
C 8.753528 -1.167953 -0.143480
H -1.254893 -1.323297 -0.995207
H -1.248599 -1.298836 0.782105
H -2.445774 0.933947 0.754856
H -2.456762 0.905714 -1.022417
H 0.113904 0.808063 -1.030701
H 0.132151 0.838458 0.747312
H -3.830059 -1.196597 0.800216
H -3.841096 -1.225934 -0.981884
H 1.291341 -1.457091 -0.966241
H 1.348870 -1.343310 0.815836
H -5.034216 1.019994 0.785279
H -5.044749 0.988527 -1.025656
H 2.577285 0.763470 -0.893698
H 3.738921 -1.430922 0.756616
H 4.164692 -1.169427 -0.959693
H 5.116919 1.094836 -0.378353
H 4.685168 0.821292 1.359315
H -8.475630 -1.640633 1.202937
H -9.889254 -0.882309 0.323204
H -8.635241 -1.835407 -0.605366
H 8.704174 -1.688536 0.821663
H 8.256605 -1.724868 -0.947398
H 9.774079 -0.856375 -0.404689


