%chk=000022669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022669

1 1
 O   -2.927800       1.490100     -0.3832000    
 O   -3.181800      -1.208200      0.2271000    
 N    3.140200      0.2487000     -0.1473000    
 C    2.953600     -0.9005000      0.8453000    
 C    1.940700       1.204600     -3.7500001E-02
 C    1.675300      -1.684300      0.5597000    
 C   0.5909000      0.5399000      8.2000000E-03
 C   0.4628000     -0.8193000      0.3372000    
 C    3.301100     -0.2603000      -1.579300    
 C    4.415100       1.010700      0.2221000    
 C  -0.5601000       1.307200     -0.2211000    
 C  -0.8142000      -1.396400      0.3960000    
 C   -1.825200      0.7253000     -0.1500000    
 C   -1.952100     -0.6266000      0.1565000    
 C   -3.515700       2.140200      0.7420000    
 C   -3.702600      -1.771300     -0.9755000    
 H    2.915100     -0.4529000       1.846400    
 H    3.835500      -1.548300      0.7835000    
 H    2.010700       1.895600     -0.8860000    
 H    2.073100       1.772300      0.8920000    
 H    1.492300      -2.355900       1.407700    
 H    1.815400      -2.319700     -0.3232000    
 H    4.116500     -0.9892000      -1.594900    
 H    2.367600     -0.7205000      -1.910600    
 H    3.539400      0.5924000      -2.222400    
 H    5.265200      0.3296000      0.1208000    
 H    4.518300       1.860500     -0.4591000    
 H    4.327100       1.358700       1.255600    
 H  -0.4672000       2.365100     -0.4572000    
 H  -0.9202000      -2.453400      0.6304000    
 H   -2.804700       2.837600       1.196400    
 H   -3.846900       1.405200       1.482200    
 H   -4.386100       2.704200      0.3956000    
 H   -4.689300      -2.189700     -0.7586000    
 H   -3.052600      -2.575200      -1.335300    
 H   -3.810700      -1.001600      -1.746300    


%chk=000022669-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022669

1 1
O -2.820891 1.550338 -0.476651
O -3.092491 -1.311875 0.239760
N 3.232301 0.254381 -0.150792
C 3.093943 -0.849978 0.924262
C 2.060580 1.239568 0.037276
C 1.814326 -1.675746 0.740414
C 0.713611 0.539242 0.062804
C 0.585007 -0.820140 0.452662
C 3.209593 -0.339711 -1.556183
C 4.549737 0.991115 0.061276
C -0.439422 1.299246 -0.240091
C -0.702755 -1.400777 0.484981
C -1.727113 0.731614 -0.163067
C -1.857549 -0.657068 0.163775
C -3.841439 1.712844 0.596308
C -3.921637 -1.311073 -0.997427
H 3.090210 -0.318829 1.892133
H 4.000075 -1.476814 0.865040
H 2.120190 1.974782 -0.784327
H 2.269328 1.769377 0.986606
H 1.667463 -2.257085 1.669862
H 1.954054 -2.427477 -0.061055
H 3.960004 -1.142813 -1.618744
H 2.206898 -0.735335 -1.767768
H 3.451111 0.455985 -2.277667
H 5.385081 0.304573 -0.145436
H 4.597187 1.851533 -0.624147
H 4.605894 1.342559 1.102942
H -0.372634 2.356896 -0.519141
H -0.839522 -2.456219 0.744824
H -3.403333 2.275940 1.440002
H -4.213606 0.734741 0.946998
H -4.651215 2.294919 0.134243
H -4.876567 -1.766724 -0.700169
H -3.430699 -1.930736 -1.769379
H -4.077019 -0.286652 -1.376923


