%chk=000022667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022667

0 1
 O   -3.115900      -1.527300      0.2834000    
 O   -3.181100       1.246300      0.1470000    
 N    2.888200      0.6399000     -0.4458000    
 C    2.996100     -0.5868000      0.3738000    
 C    1.779400      -1.491700      7.9800002E-02
 C    1.713300       1.431100     -2.4700001E-02
 C   0.4636000     -0.7615000      0.1226000    
 C   0.4307000      0.6375000      2.8500000E-02
 C    4.272300      -1.397800      0.1089000    
 C    4.083400       1.484000     -0.3815000    
 C  -0.7370000      -1.480000      0.1976000    
 C  -0.8031000       1.302200      4.8700001E-02
 C   -1.960200     -0.8105000      0.2057000    
 C   -1.993200      0.5800000      0.1339000    
 C   -3.709700      -1.935000     -0.9475000    
 C   -3.126900       2.669600      6.9899999E-02
 H    2.989600     -0.3155000       1.439400    
 H    1.761000      -2.309000      0.8121000    
 H    1.878600      -1.941500     -0.9173000    
 H    1.577000       2.252700     -0.7396000    
 H    1.879600       1.870000      0.9685000    
 H    4.391800      -1.618900     -0.9576000    
 H    5.165600     -0.8670000      0.4532000    
 H    4.241700      -2.351900      0.6468000    
 H    3.931600       2.412600     -0.9441000    
 H    4.941100      0.9917000     -0.8507000    
 H    4.347200       1.747800      0.6489000    
 H  -0.7163000      -2.566200      0.2504000    
 H  -0.7658000       2.385500     -3.3000000E-03
 H   -3.969700      -1.064000      -1.557400    
 H   -4.625100      -2.488100     -0.7198000    
 H   -3.031800      -2.592700      -1.500900    
 H   -2.621600       3.102200      0.9401000    
 H   -4.159900       3.032400      9.0499997E-02
 H   -2.691600       3.006700     -0.8771000    


%chk=000022667-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022667

0 1
O -3.026963 -1.759907 0.207234
O -3.232482 1.068797 -0.005777
N 3.003569 0.622696 -0.407827
C 3.092876 -0.605529 0.439312
C 1.920771 -1.540953 0.060293
C 1.785846 1.408559 -0.092624
C 0.575965 -0.834736 0.039074
C 0.514385 0.573899 -0.061481
C 4.429738 -1.347428 0.251737
C 4.190934 1.499259 -0.353274
C -0.634051 -1.568870 0.092367
C -0.745207 1.222275 -0.088614
C -1.892031 -0.938729 0.059405
C -1.948811 0.487682 -0.020175
C -4.090962 -1.631969 -0.809928
C -3.309317 2.529985 0.010175
H 2.991385 -0.327668 1.523601
H 1.890478 -2.392843 0.767518
H 2.136917 -1.959284 -0.943959
H 1.687885 2.207140 -0.854015
H 1.893095 1.929125 0.899930
H 4.620563 -1.524980 -0.822965
H 5.286427 -0.796339 0.676408
H 4.381510 -2.328359 0.758741
H 4.023264 2.370227 -1.012946
H 5.083905 0.970168 -0.721789
H 4.410586 1.887295 0.675123
H -0.622533 -2.661978 0.168253
H -0.773835 2.315615 -0.155578
H -4.524692 -0.618505 -0.803194
H -4.847230 -2.379394 -0.524475
H -3.692514 -1.867620 -1.816424
H -2.787938 2.948940 0.892650
H -4.383359 2.761228 0.069941
H -2.885275 2.969002 -0.914316


