%chk=000005836.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005836

0 1
 O    1.594900       1.016400       1.198400    
 O    1.867000       2.963300     -0.5831000    
 O    3.822000     -0.7909000      0.7809000    
 N   -3.526700     -0.7514000      0.4245000    
 C  -0.7365000      0.5736000      0.6677000    
 C   -1.689000      0.6478000     -0.5148000    
 C   -2.321500     -0.7946000     -0.4067000    
 C   0.3327000       1.671300      0.8267000    
 C   -1.640900      0.3262000       1.946200    
 C   0.2225000     -0.5637000      0.2862000    
 C   -1.469700      -1.847700      -1.146400    
 C   -3.208800      0.1281000       1.615000    
 C  -5.0000001E-02  -1.678600     -0.5509000    
 C   0.5112000       2.548100     -0.4450000    
 C   -1.007100       1.085000      -1.785100    
 C    1.503100     -0.2421000      0.6672000    
 C   1.7400000E-02   1.952200      -1.740900    
 C   -4.705500     -0.3124000     -0.3038000    
 C    1.006400      -2.537600     -0.8435000    
 C    2.556100      -1.090600      0.3951000    
 C    2.295400      -2.252600     -0.3499000    
 C    4.627000     -4.9899999E-02 -0.1378000    
 H   -2.447200       1.427400     -0.3575000    
 H   -2.896500     -0.7139000      -1.347400    
 H   9.4499998E-02   2.342200       1.660700    
 H   -1.564600       1.171400       2.639700    
 H   -1.290200     -0.5675000       2.476900    
 H   -1.422900      -1.718100      -2.234700    
 H   -1.834300      -2.854400     -0.9153000    
 H   -3.699000     -0.2975000       2.498000    
 H   -3.636300       1.129200       1.469600    
 H  -7.2300002E-02   3.466400     -0.3004000    
 H   -1.384900      0.7407000      -2.742000    
 H   0.4596000       2.296600      -2.671200    
 H   -4.598900      0.6824000     -0.7507000    
 H   -5.566000     -0.2764000      0.3745000    
 H   -4.976000      -1.025700      -1.091500    
 H   0.8510000      -3.414400      -1.465400    
 H    3.111000      -2.930800     -0.5920000    
 H    2.402800       2.167900     -0.7410000    
 H    4.657900     -0.5427000      -1.114900    
 H    5.643700     -2.3000001E-03  0.2618000    
 H    4.245100      0.9693000     -0.2405000    


%chk=000005836-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005836

0 1
O 1.802305 1.123614 0.526211
O 1.975319 3.228627 -1.115794
O 3.898788 -1.101674 0.090325
N -3.103661 -0.667033 0.504415
C -0.629228 0.782236 0.292188
C -1.711852 0.960770 -0.814299
C -2.536287 -0.369255 -0.848577
C 0.484195 1.875354 0.349948
C -1.333824 0.593893 1.687404
C 0.187042 -0.445427 -0.106092
C -1.695333 -1.588767 -1.330067
C -2.849685 0.337255 1.550536
C -0.278266 -1.586803 -0.775118
C 0.595772 2.772993 -0.928372
C -1.068602 1.322887 -2.140086
C 1.548739 -0.223569 0.135178
C 0.021166 2.131134 -2.181381
C -4.478373 -1.183838 0.471083
C 0.679897 -2.602239 -1.041114
C 2.511394 -1.229641 -0.096385
C 2.034204 -2.438154 -0.673304
C 4.342175 -0.345024 1.278411
H -2.407987 1.774956 -0.521917
H -3.368116 -0.221152 -1.575935
H 0.421471 2.512842 1.245657
H -1.183927 1.496289 2.311592
H -0.867390 -0.257162 2.213962
H -1.632239 -1.584434 -2.439013
H -2.239318 -2.509952 -1.047472
H -3.236705 -0.061499 2.507608
H -3.392131 1.303730 1.374020
H 0.024729 3.701203 -0.720628
H -1.503735 0.920266 -3.064503
H 0.499720 2.422338 -3.123983
H -5.237641 -0.421611 0.159515
H -4.763595 -1.559336 1.470856
H -4.546747 -2.031657 -0.235110
H 0.373471 -3.520912 -1.555092
H 2.770781 -3.223452 -0.871580
H 2.562046 2.471829 -0.841455
H 3.957930 0.689395 1.266626
H 5.441247 -0.346767 1.224356
H 4.008752 -0.852550 2.204087


