%chk=000049182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049182

0 1
 S    2.607100     -0.3542000      0.2433000    
 O    1.031600       1.059000      -2.222400    
 O  -0.2225000     -0.4038000       2.059900    
 O   -1.277300       3.823700      0.6205000    
 N  -0.2081000       2.403700     -0.8376000    
 N  -0.8339000       1.673200       1.301800    
 C  -5.1600002E-02  9.8999999E-03 -0.3234000    
 C   -1.347500     -0.5828000     -0.9051000    
 C    1.055200      -1.053900     -0.3627000    
 C   -1.839400      -1.746000     -5.6499999E-02
 C   0.3400000       1.186100      -1.212300    
 C  -0.3442000      0.3877000       1.125300    
 C   -3.141800      -2.312900     -0.6210000    
 C  -0.8207000       2.706400      0.3724000    
 C   -3.668300      -3.455600      0.2327000    
 C    3.652200      -1.819700      6.7100003E-02
 C    5.069300      -1.520800      0.5179000    
 H   -1.183000     -0.9161000      -1.938400    
 H   -2.130800      0.1857000     -0.9539000    
 H    1.210200      -1.421700      -1.383400    
 H   0.8351000      -1.913000      0.2764000    
 H   -1.110000      -2.560100     -2.1299999E-02
 H   -2.054000      -1.439300      0.9706000    
 H   -2.979500      -2.673200      -1.643600    
 H   -3.902700      -1.525100     -0.6712000    
 H  -7.8900002E-02   3.177700      -1.483300    
 H   -1.166300       1.908600       2.232800    
 H   -3.876100      -3.120300       1.253800    
 H   -2.945000      -4.275800      0.2804000    
 H   -4.598200      -3.847600     -0.1912000    
 H    3.239800      -2.633700      0.6716000    
 H    3.659700      -2.134900     -0.9809000    
 H    5.523200     -0.7249000     -8.2400002E-02
 H    5.102300      -1.224000       1.571800    
 H    5.692200      -2.414600      0.4067000    


%chk=000049182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049182

0 1
S 2.777672 -0.420156 -0.893110
O 0.207228 1.210900 -2.681820
O 0.399896 -0.784412 1.721108
O -0.311987 3.767260 1.165241
N -0.099452 2.442473 -0.749828
N -0.064647 1.454037 1.396553
C -0.037165 -0.066429 -0.595827
C -1.517700 -0.591265 -0.839619
C 1.009207 -1.081086 -1.106428
C -1.842808 -1.988476 -0.267440
C 0.066299 1.224775 -1.433099
C 0.150529 0.150276 0.913980
C -3.345768 -2.320614 -0.425907
C -0.173901 2.635552 0.639983
C -3.695589 -3.733610 0.087723
C 3.401051 -1.568613 0.494308
C 4.785308 -1.088282 0.951306
H -1.671185 -0.594216 -1.936472
H -2.226590 0.151101 -0.418187
H 0.855866 -1.267924 -2.180127
H 0.936591 -2.020247 -0.538805
H -1.249311 -2.761371 -0.793938
H -1.561625 -2.046407 0.800846
H -3.633973 -2.231323 -1.493230
H -3.946339 -1.567230 0.123665
H -0.112289 3.296144 -1.317634
H -0.038825 1.583299 2.413462
H -3.441731 -3.840847 1.158888
H -3.135625 -4.508535 -0.468681
H -4.773527 -3.948222 -0.027751
H 2.661022 -1.534361 1.310220
H 3.447211 -2.591016 0.081447
H 5.511324 -1.093446 0.118531
H 4.737695 -0.063923 1.361427
H 5.171240 -1.756105 1.743619


