%chk=000004287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004287

0 1
 S   -3.869800       1.947900      0.1734000    
 F    3.275000      -1.631400       1.758200    
 F    1.262500     -0.2574000      -2.316300    
 F    2.386300       2.210100      -2.032100    
 F    4.397500      0.8382000       2.029600    
 F    3.955300       2.761600      0.1374000    
 O   -2.716800       2.443700     -0.5530000    
 O   -5.208000       2.059700     -0.3744000    
 O  -0.9340000      -1.799800      -1.673900    
 N   0.3346000      -2.397200      0.1843000    
 N   -3.857400       2.599800       1.747300    
 C   -3.579100      0.2417000      0.5583000    
 C   -2.052200      -2.298000      0.3778000    
 C   -2.245100      7.8900002E-02   1.282800    
 C   -3.631000     -0.6067000     -0.7098000    
 C   -1.954100      -1.386600       1.602500    
 C   -3.338500      -2.078700     -0.4205000    
 C  -0.8417000      -2.126100     -0.4933000    
 C    1.638100      -2.327000     -0.4354000    
 C    2.259800     -0.9644000     -0.2813000    
 C    3.053900     -0.6956000      0.8247000    
 C    2.028900      4.0000002E-03  -1.248200    
 C    2.603600       1.267100      -1.106200    
 C    3.628500      0.5675000      0.9667000    
 C    3.403400       1.548900      1.3000000E-03
 H   -4.398900     -6.6699997E-02   1.219900    
 H   -2.040500      -3.342500      0.7182000    
 H   -2.238100      0.6379000       2.224500    
 H   -1.424800      0.4837000      0.6770000    
 H   -2.920800     -0.2211000      -1.450600    
 H   -4.621400     -0.5274000      -1.174700    
 H  -0.9888000      -1.451500       2.114100    
 H   -2.697900      -1.726200       2.336200    
 H   -4.176900      -2.484900      0.1608000    
 H   -3.320900      -2.640900      -1.362000    
 H   0.3009000      -2.721600       1.145500    
 H   -4.608600       2.327200       2.392400    
 H   -2.951900       2.771400       2.200200    
 H    1.553500      -2.592500      -1.495900    
 H    2.267200      -3.094100      3.0400001E-02


%chk=000004287-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004287

0 1
S -2.533756 1.933482 0.588981
F 1.538592 -0.526965 2.049075
F 2.216109 -0.818810 -2.737739
F 2.452572 1.940161 -2.870761
F 1.787203 2.237693 1.915843
F 2.232558 3.483548 -0.552609
O -0.927794 1.969493 0.274703
O -3.604446 2.722119 -0.347707
O -0.724130 -2.531170 -1.758328
N 0.304495 -2.558632 0.313120
N -2.738376 2.534787 2.328179
C -3.065174 0.039543 0.735203
C -2.196704 -2.743974 0.207560
C -2.069206 -0.635785 1.681167
C -3.091614 -0.516777 -0.694051
C -2.269898 -2.176009 1.651447
C -3.282849 -2.057798 -0.664087
C -0.822619 -2.599085 -0.495483
C 1.627453 -2.244911 -0.253353
C 1.856839 -0.735304 -0.342269
C 1.776267 0.082190 0.802812
C 2.095155 -0.075720 -1.564428
C 2.223460 1.325771 -1.647569
C 1.891517 1.480180 0.758771
C 2.113721 2.106493 -0.481827
H -4.073493 0.142303 1.173885
H -2.414354 -3.831523 0.242033
H -2.199616 -0.250814 2.707590
H -1.041896 -0.387560 1.358027
H -2.137952 -0.294324 -1.209299
H -3.900534 -0.040769 -1.275146
H -1.541740 -2.656382 2.334652
H -3.267624 -2.427228 2.061401
H -4.282142 -2.315929 -0.262194
H -3.220881 -2.434776 -1.698401
H 0.207114 -2.548683 1.328507
H -3.449064 3.286527 2.318714
H -1.813083 2.867186 2.650970
H 1.673812 -2.675882 -1.265473
H 2.403878 -2.715667 0.373983


