%chk=000023789.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023789

0 1
 S    1.924800       2.669200     -0.4928000    
 O   -4.439700      -2.411400     -0.6740000    
 N   -2.097500      0.2920000      0.2410000    
 C   -1.279400      0.3295000     -0.9479000    
 C   5.3599998E-02  0.9353000     -0.7043000    
 C    1.213700      0.1905000     -0.3047000    
 C   -3.384300     -0.3664000     -2.1700000E-02
 C   -2.330400       1.643700      0.7670000    
 C    2.323600       1.026800     -0.1507000    
 C   0.3021000       2.280300     -0.8406000    
 C    1.379800      -1.194000     -5.9300002E-02
 C   -3.171600      -1.810200     -0.4477000    
 C   -3.191300       1.605200       2.018200    
 C    2.624100      -1.699800      0.3262000    
 C    3.579500      0.5202000      0.2378000    
 C    3.711000     -0.8497000      0.4726000    
 C    2.782100      -3.161300      0.5810000    
 H   -1.786200      0.8802000      -1.753900    
 H   -1.089700     -0.6668000      -1.356500    
 H   -3.969500      0.1695000     -0.7809000    
 H   -4.011800     -0.4143000      0.8741000    
 H   -1.390000       2.100400       1.088800    
 H   -2.792900       2.302700      2.1500001E-02
 H  -0.3884000       3.058700      -1.135100    
 H   0.5353000      -1.870700     -0.1685000    
 H   -2.641500      -2.389200      0.3160000    
 H   -2.636900      -1.909700      -1.393700    
 H   -4.251500       1.452000       1.794600    
 H   -2.855800      0.8368000       2.723300    
 H   -3.124600       2.569300       2.535900    
 H    4.435900       1.178300      0.3543000    
 H    4.681400      -1.239500      0.7705000    
 H    3.010500      -3.682900     -0.3537000    
 H    3.588900      -3.355800       1.295900    
 H    1.867500      -3.587100       1.007800    
 H   -4.925300      -2.401000      0.1685000    


%chk=000023789-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023789

0 1
S 2.245791 2.763517 -1.200436
O -4.257634 -2.632971 -0.976642
N -2.055509 0.317031 0.002356
C -1.389681 0.775381 -1.249373
C 0.035835 1.249156 -1.047028
C 1.102892 0.443008 -0.455591
C -3.306886 -0.424306 -0.292468
C -2.211693 1.399062 1.011415
C 2.367869 1.107919 -0.461472
C 0.483404 2.481948 -1.474962
C 1.025198 -0.867345 0.093408
C -3.035035 -1.917636 -0.577365
C -2.384203 0.857878 2.442481
C 2.175786 -1.500524 0.605923
C 3.530931 0.498177 0.049923
C 3.423003 -0.804005 0.576771
C 2.105961 -2.901639 1.189914
H -1.974896 1.586830 -1.752334
H -1.382885 -0.082748 -1.949908
H -3.862974 0.008573 -1.158549
H -3.977814 -0.350448 0.584745
H -1.295208 2.014693 0.974921
H -3.064325 2.077465 0.753515
H -0.095229 3.272967 -1.951632
H 0.048029 -1.359282 0.134519
H -2.558943 -2.382288 0.311155
H -2.358528 -2.040338 -1.439537
H -3.301227 0.249857 2.553364
H -1.519249 0.228162 2.713945
H -2.452164 1.694524 3.162324
H 4.495088 1.016687 0.040169
H 4.317991 -1.294917 0.978550
H 2.739970 -3.607058 0.619767
H 2.461125 -2.920252 2.237549
H 1.074483 -3.293477 1.176956
H -4.893772 -2.632802 -0.217373


