%chk=000130834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130834

0 1
 S   0.1299000     -7.0600003E-02  -1.824700    
 O    1.283900       3.755200       1.387700    
 O   -4.663700      0.1821000     -0.2626000    
 O   -3.677000       2.212200     -4.8900001E-02
 O   -2.465600      -1.565300       1.851700    
 N   -2.446600      -1.159700     -0.4409000    
 C   0.8991000      0.3681000     -0.2506000    
 C   0.8481000       1.894700     -6.1299998E-02
 C    2.288500     -0.2313000     -0.1624000    
 C   -1.460000      0.7889000      -1.582100    
 C   -2.266100      0.2697000     -0.3889000    
 C    1.389200       2.340000       1.295800    
 C    2.434900      -1.525600      0.3021000    
 C    3.376300      0.5303000     -0.5490000    
 C   -3.586800       1.002500     -0.2204000    
 C    3.713400      -2.077500      0.3831000    
 C    4.654700     -2.1800000E-02 -0.4681000    
 C    4.823200      -1.325700     -2.0000001E-03
 C   -2.531200      -1.957400      0.6896000    
 C   -2.744300      -3.408600      0.3519000    
 H   0.3171000     -8.7499999E-02  0.5588000    
 H    1.354700       2.439200     -0.8681000    
 H  -0.1758000       2.275600     -6.6799998E-02
 H   -2.035500      0.5744000      -2.492600    
 H   -1.354300       1.876900      -1.594600    
 H   -1.739700      0.4899000      0.5469000    
 H   0.7991000       1.905200       2.108900    
 H    2.436300       2.074300       1.456500    
 H    1.577400      -2.120200      0.6037000    
 H    3.287900       1.537600     -0.9394000    
 H   -2.588600      -1.586500      -1.352000    
 H    3.844600      -3.092900      0.7454000    
 H    5.519000      0.5611000     -0.7732000    
 H    5.818500      -1.755900      5.9599999E-02
 H    1.837100       4.136300      0.6846000    
 H   -2.551600      -4.023900       1.235100    
 H   -3.777100      -3.557800      2.5800001E-02
 H   -2.061800      -3.718600     -0.4448000    
 H   -5.504300      0.6738000     -0.1447000    


%chk=000130834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130834

0 1
S -0.017184 0.197643 -1.730854
O 1.624170 4.029151 1.650241
O -4.898514 0.105255 -1.072310
O -4.239400 2.022910 0.069870
O -1.150438 -1.580156 1.267888
N -2.655865 -1.212439 -0.466522
C 0.839135 0.648592 -0.051725
C 1.010253 2.174138 0.092483
C 2.131381 -0.154151 -0.015913
C -1.738302 0.918398 -1.499602
C -2.581474 0.241644 -0.362662
C 1.552981 2.567298 1.484576
C 2.215212 -1.306820 0.808384
C 3.258000 0.213579 -0.797927
C -3.961472 0.895332 -0.383398
C 3.407882 -2.062344 0.864210
C 4.447916 -0.545610 -0.746468
C 4.528680 -1.684346 0.088841
C -1.903621 -2.039886 0.351172
C -2.026252 -3.530699 0.071928
H 0.157045 0.250957 0.720420
H 1.689113 2.555001 -0.696050
H 0.039102 2.685345 -0.046816
H -2.225436 0.767215 -2.479797
H -1.673859 2.002530 -1.305947
H -2.114259 0.472052 0.611187
H 0.861359 2.237073 2.278117
H 2.541839 2.097905 1.664366
H 1.337792 -1.606547 1.393804
H 3.203354 1.088247 -1.456845
H -3.280268 -1.610720 -1.169228
H 3.461691 -2.945831 1.510582
H 5.309517 -0.252268 -1.357209
H 5.453177 -2.271355 0.132047
H 2.275014 4.391949 0.997372
H -1.081590 -3.887270 -0.375923
H -2.164772 -4.067021 1.024870
H -2.855994 -3.782138 -0.610793
H -5.773013 0.578585 -1.107270


