%chk=000058049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058049

0 1
 S    1.138400       1.355000     -0.5834000    
 O   -1.433300     -0.2655000      0.6114000    
 O   -1.174500     -0.7616000      -1.611700    
 N    2.783100     -0.4356000      0.3212000    
 N   0.5042000      -1.159000     -4.4199999E-02
 C   -2.753600      0.2180000      0.3395000    
 C    3.645300      0.7001000      1.6400000E-02
 C    2.755000       1.938500      1.9600000E-02
 C    1.462000     -0.2959000     -4.4199999E-02
 C   -3.577700     -0.9247000     -0.2518000    
 C   -3.354400      0.6848000       1.663700    
 C   -2.652000       1.382600     -0.6446000    
 C    3.392300      -1.700000      0.6748000    
 C  -0.7347000     -0.7368000     -0.4666000    
 H    4.102300      0.5575000     -0.9704000    
 H    4.451500      0.8074000      0.7501000    
 H    2.624200       2.316900       1.038500    
 H    3.156000       2.738300     -0.6085000    
 H   -3.410700      -1.857000      0.3001000    
 H   -4.647900     -0.6911000     -0.1986000    
 H   -3.376400      -1.131400      -1.305900    
 H   -2.735600       1.468300       2.116100    
 H   -3.388100     -0.1386000       2.386300    
 H   -4.369200       1.075500       1.536100    
 H   -2.389600       1.107000      -1.668100    
 H   -3.616400       1.900300     -0.7165000    
 H   -1.911900       2.116100     -0.3067000    
 H    3.637800      -2.267200     -0.2284000    
 H    2.715100      -2.301000       1.290300    
 H    4.312000      -1.547500       1.248700    


%chk=000058049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058049

0 1
S 1.943681 1.244791 -1.627760
O -1.664620 -0.158872 0.755703
O -0.797221 0.744713 -1.242357
N 2.939483 -0.108327 0.470490
N 0.586403 -0.132080 0.484054
C -3.116959 0.078662 0.357384
C 4.139997 0.180662 -0.339925
C 3.807422 1.389711 -1.230402
C 1.721041 0.233364 -0.073433
C -3.442989 -0.735850 -0.911173
C -3.867649 -0.466293 1.584901
C -3.360457 1.589990 0.170673
C 3.043403 -0.981013 1.648074
C -0.635771 0.206614 -0.103189
H 4.402688 -0.705941 -0.955605
H 4.991081 0.399687 0.330330
H 3.968807 2.345305 -0.708336
H 4.363425 1.372696 -2.178703
H -3.191190 -1.800544 -0.758690
H -4.525348 -0.664131 -1.125107
H -2.883054 -0.355144 -1.779746
H -3.578688 0.090151 2.493092
H -3.629347 -1.532446 1.741471
H -4.957752 -0.363987 1.437099
H -2.794971 1.976192 -0.691723
H -4.437986 1.769912 0.000539
H -3.057216 2.142455 1.077862
H 3.445104 -1.974948 1.368050
H 2.032768 -1.105441 2.065040
H 3.709114 -0.526489 2.404587


