%chk=000008650.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008650

0 1
 O   -1.104800     -0.8055000      -1.548600    
 N   -3.161300      8.2999999E-03  0.3211000    
 C   -1.743800     -8.6900003E-02  0.6923000    
 C  -0.8642000      0.1879000     -0.5482000    
 C   0.6212000      0.1644000     -0.2575000    
 C   -1.504000      -1.475800       1.287300    
 C    1.255400       1.337100      0.1136000    
 C    1.312500      -1.029300     -0.3698000    
 C   -3.453600       1.314600     -0.2426000    
 C    2.624200       1.315300      0.3811000    
 C    2.681300      -1.051100     -0.1021000    
 C    3.337200      0.1212000      0.2734000    
 H   -1.525900      0.6523000       1.474200    
 H   -1.071300       1.159300      -1.009400    
 H  -0.4987000      -1.562400       1.710300    
 H   -2.203500      -1.667000       2.110100    
 H   -1.639700      -2.274200      0.5495000    
 H   -3.413100     -0.7224000     -0.3427000    
 H   0.7078000       2.270700      0.2028000    
 H   0.8281000      -1.960100     -0.6490000    
 H   -2.018200     -0.6936000      -1.860800    
 H   -3.143800       1.406600      -1.287700    
 H   -3.024000       2.132000      0.3466000    
 H   -4.539500       1.459100     -0.2338000    
 H    3.134800       2.227900      0.6743000    
 H    3.236100      -1.981300     -0.1832000    
 H    4.402700      0.1042000      0.4828000    


%chk=000008650-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008650

0 1
O -1.134135 -0.711841 -1.714104
N -3.095805 -0.128545 -0.015413
C -1.722905 0.036018 0.541210
C -0.773109 0.271005 -0.700050
C 0.703385 0.174627 -0.353432
C -1.348370 -1.224033 1.341837
C 1.324616 1.216331 0.381638
C 1.471107 -0.949882 -0.739996
C -3.807498 1.116999 -0.378386
C 2.687792 1.126532 0.742512
C 2.836262 -1.037765 -0.384390
C 3.448930 -0.003802 0.361701
H -1.654877 0.927622 1.207207
H -0.976702 1.297959 -1.082854
H -0.347937 -1.118665 1.791189
H -2.074239 -1.396963 2.159414
H -1.334533 -2.112084 0.684497
H -3.669060 -0.750007 0.567805
H 0.746700 2.105717 0.665828
H 0.983230 -1.731063 -1.330247
H -2.121785 -0.847907 -1.538930
H -3.285778 1.622394 -1.210185
H -3.887274 1.841002 0.464195
H -4.825235 0.871903 -0.728493
H 3.157395 1.938121 1.310340
H 3.423602 -1.910166 -0.693916
H 4.508124 -0.072205 0.635022


