%chk=000022079.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022079

0 1
 S    2.425400      0.2125000       2.383800    
 P    2.228800     -0.2382000      0.4965000    
 O   0.7890000     -0.8156000      2.4900001E-02
 O    2.431000      0.9906000     -0.5529000    
 O    3.254700      -1.341200     -0.1183000    
 N   -2.735600       1.276400     -2.4499999E-02
 N  -0.3690000       1.155500      0.4139000    
 C   -3.975300     -0.6211000     -0.8727000    
 C   -4.744000      -1.277600      0.2823000    
 C   -2.690100     -1.2300000E-02 -0.4217000    
 C   -1.538300     -0.7721000     -0.4291000    
 C  -0.3954000     -0.1298000      3.3000000E-03
 C   -6.068200      -1.865800     -0.1783000    
 C   -1.556300       1.789700      0.3750000    
 C    3.601500       1.788000     -0.4885000    
 C    3.154900      -2.696900      0.2834000    
 C   -1.566500       3.212300      0.8217000    
 C    3.535500       2.848600      -1.566700    
 C    4.217900      -3.502900     -0.4322000    
 H   -3.786700      -1.355800      -1.665700    
 H   -4.598500      0.1599000      -1.327200    
 H   -4.135900      -2.071500      0.7329000    
 H   -4.934600     -0.5396000       1.071100    
 H   -1.524600      -1.806200     -0.7505000    
 H   -5.910800      -2.633900     -0.9420000    
 H   -6.592400      -2.326600      0.6647000    
 H   -6.716200      -1.090100     -0.5988000    
 H    3.669700       2.270400      0.4905000    
 H    4.480300       1.152300     -0.6337000    
 H    3.296000      -2.768500       1.366000    
 H    2.161400      -3.079700      3.0900000E-02
 H  -0.5672000       3.653000      0.7502000    
 H   -2.244500       3.805700      0.2004000    
 H   -1.900300       3.270500       1.861900    
 H    2.648800       3.477600      -1.434800    
 H    3.453600       2.387200      -2.556400    
 H    4.425500       3.483600      -1.545800    
 H    5.216100      -3.118500     -0.1979000    
 H    4.094200      -3.426300      -1.517600    
 H    4.169000      -4.556800     -0.1447000    


%chk=000022079-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022079

0 1
S 2.392382 -0.179006 2.388082
P 2.429445 -0.415674 0.343753
O 0.915890 -1.061915 -0.401132
O 2.961074 0.852635 -0.672911
O 3.444639 -1.627113 -0.320818
N -2.589792 1.144195 -0.205141
N -0.184893 0.971585 0.046808
C -4.010869 -0.735059 -0.907901
C -4.825203 -1.002278 0.390661
C -2.639418 -0.176135 -0.604818
C -1.469778 -0.962571 -0.680742
C -0.255079 -0.326232 -0.333999
C -6.249090 -1.512912 0.088567
C -1.370295 1.666450 0.104882
C 2.898203 2.260507 -0.160545
C 3.361308 -3.008748 0.246671
C -1.298154 3.107893 0.539360
C 3.371154 3.132251 -1.319053
C 4.510128 -3.786520 -0.386466
H -3.921835 -1.671167 -1.490387
H -4.563345 0.000281 -1.522621
H -4.284355 -1.739960 1.015811
H -4.871618 -0.062149 0.971812
H -1.488399 -2.009813 -0.987424
H -6.224422 -2.463186 -0.477508
H -6.812818 -1.691350 1.022250
H -6.815093 -0.776812 -0.512526
H 1.855091 2.470964 0.134376
H 3.558698 2.340286 0.722603
H 3.455007 -2.950112 1.348404
H 2.375816 -3.435264 -0.016736
H -0.714762 3.702982 -0.187364
H -2.312168 3.526499 0.615096
H -0.786421 3.190718 1.514540
H 2.702908 3.022375 -2.189605
H 4.394709 2.858129 -1.625512
H 3.371447 4.193011 -1.006046
H 5.479781 -3.329406 -0.127504
H 4.411357 -3.801284 -1.484866
H 4.501672 -4.829296 -0.018652


