%chk=000005115.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005115

0 1
 O    2.776100      0.2903000       1.856200    
 O    3.877000      -1.031000      0.3874000    
 O   -3.754000      -1.461700      9.5200002E-02
 O   -4.198500      0.7560000      0.3211000    
 N    2.765800      5.0900001E-02  -1.814600    
 C   0.8038000      0.3589000     -0.3426000    
 C    2.274500      0.5385000     -0.5139000    
 C  -1.7300000E-02   1.470500     -0.1533000    
 C   0.2496000     -0.9209000     -0.3697000    
 C   -1.946700      2.2399999E-02 -1.8500000E-02
 C   -1.392400       1.302300      8.8999998E-03
 C   -1.125500      -1.089200     -0.2077000    
 C    3.068300     -0.1334000      0.6026000    
 C   -3.380700     -0.1537000      0.1489000    
 H    2.537200       1.603200     -0.4631000    
 H   0.3991000       2.474000     -0.1292000    
 H   0.8747000      -1.798200     -0.5146000    
 H   -2.015000       2.181100      0.1551000    
 H   -1.514600      -2.103100     -0.2354000    
 H    3.761200      0.2561000      -1.897800    
 H    2.309900      0.5723000      -2.563200    
 H    3.293100     -0.1921000       2.536100    
 H   -4.722400      -1.569800      0.2085000    


%chk=000005115-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005115

0 1
O 2.757309 0.990363 1.692469
O 3.977475 -0.722902 0.709499
O -3.924504 -1.432567 -0.163004
O -4.178320 0.665978 0.795786
N 2.843363 -0.274888 -1.739433
C 0.805014 0.337658 -0.407860
C 2.321906 0.533115 -0.649139
C 0.031865 1.361284 0.195400
C 0.182356 -0.870662 -0.799954
C -1.968949 -0.039717 0.022044
C -1.346368 1.176795 0.408889
C -1.196285 -1.064521 -0.583325
C 3.109574 0.171640 0.622751
C -3.426070 -0.189552 0.266683
H 2.488115 1.626786 -0.788267
H 0.513992 2.294701 0.506567
H 0.799691 -1.631331 -1.288163
H -1.960170 1.957253 0.870241
H -1.684963 -1.997107 -0.879062
H 3.696877 -0.799710 -1.547120
H 2.714973 0.076199 -2.685221
H 3.265492 0.720123 2.504325
H -4.899172 -1.465540 0.032295


