%chk=000060264.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060264

0 1
 S    4.180500      0.9251000       1.094400    
 S   -2.369100      -1.268400      0.1290000    
 O    5.589700      0.9024000      0.7522000    
 O    3.762800       1.058700       2.477100    
 O    1.675000       1.685700      -2.077000    
 O  -0.7765000       3.013400     -0.8750000    
 N    3.394500       2.120700      0.1642000    
 N    1.948600       2.124200      0.2082000    
 N   -3.062100       1.188500     -0.2393000    
 N  -0.7190000      0.6782000     -0.4486000    
 C    3.475000     -0.5656000      0.4549000    
 C    4.086000      -1.197200     -0.6137000    
 C    2.325800      -1.071000       1.036200    
 C    2.371200      -2.897400     -0.5445000    
 C    3.529500      -2.372800      -1.117600    
 C    1.769200      -2.246600      0.5325000    
 C   -4.043700     -0.8852000      0.2763000    
 C   -4.222000      0.4820000      4.4199999E-02
 C    1.776800      -4.155100      -1.082300    
 C   -2.059400      0.3663000     -0.2167000    
 C   -5.122000      -1.733300      0.5758000    
 C   -5.526700       1.016700      0.1148000    
 C   -6.402700      -1.178700      0.6395000    
 C   -6.604700      0.1782000      0.4124000    
 C    1.253100       1.899600     -0.9521000    
 C  -0.2297000       1.931600     -0.7450000    
 H    4.982700     -0.8001000      -1.079200    
 H    1.838800     -0.5757000       1.870500    
 H    4.005600      -2.868700      -1.959300    
 H   0.8652000      -2.644400      0.9857000    
 H    3.827600       2.447400     -0.7081000    
 H    1.034700      -3.920300      -1.851700    
 H    2.545100      -4.800600      -1.521300    
 H    1.289600      -4.731600     -0.2884000    
 H    1.514000       2.296500       1.108600    
 H   -4.971900      -2.793600      0.7543000    
 H   -5.695800       2.075300     -6.0899999E-02
 H  -7.6899998E-02 -0.1075000     -0.3923000    
 H   -7.251200      -1.817700      0.8699000    
 H   -7.608000      0.5917000      0.4663000    


%chk=000060264-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060264

0 1
S 4.833802 1.125547 0.294039
S -3.119238 -0.296125 -2.392021
O 5.819437 1.066756 -1.004685
O 5.384944 1.424761 1.792235
O 1.564646 1.411572 -1.926279
O -0.369633 1.732215 1.095116
N 3.442061 2.681635 -0.150218
N 2.144152 2.305260 0.161428
N -2.995612 0.528475 0.196086
N -0.946894 0.851589 -1.050098
C 3.803200 -0.458459 0.381979
C 3.545436 -1.156212 -0.809309
C 3.377747 -0.898787 1.646873
C 2.352041 -2.848713 0.534906
C 2.817267 -2.362370 -0.716860
C 2.647449 -2.105556 1.709262
C -4.575310 -0.469623 -1.323084
C -4.294796 0.026046 -0.003818
C 1.542850 -4.129213 0.614992
C -2.269505 0.448083 -0.890296
C -5.835212 -0.997962 -1.658915
C -5.303827 -0.014186 0.987138
C -6.830267 -1.029574 -0.654577
C -6.566172 -0.542537 0.653716
C 1.268190 1.695918 -0.722957
C -0.112074 1.438583 -0.102353
H 3.911759 -0.782767 -1.770915
H 3.636719 -0.334024 2.548336
H 2.611738 -2.933391 -1.629234
H 2.305346 -2.474159 2.682871
H 3.529110 2.622126 -1.196723
H 0.458137 -3.909702 0.580923
H 1.768438 -4.806021 -0.226707
H 1.735629 -4.673063 1.555916
H 1.813475 2.513790 1.111133
H -6.048816 -1.373765 -2.663772
H -5.081353 0.367432 1.987566
H -0.491119 0.719977 -1.965481
H -7.818752 -1.435397 -0.893998
H -7.355391 -0.577455 1.411784


