%chk=000045225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045225

0 1
 O    2.604000      -1.610400     -0.3897000    
 O   -3.516700      -1.228100       1.051500    
 N   -4.637600      0.9973000     -0.1170000    
 C   0.9867000     -0.1179000      0.1306000    
 C    2.237500      0.5656000      0.1053000    
 C    1.268600      -1.444900     -0.1791000    
 C   -1.340100     -0.7491000      0.3087000    
 C  -0.3507000      0.2408000      0.3813000    
 C    3.192000     -0.3938000     -0.2179000    
 C   0.3068000      -2.450600     -0.2581000    
 C   -3.221900       1.023900      0.2337000    
 C   -2.727300     -0.3926000      0.5649000    
 C   -1.014400      -2.070500     -5.2999998E-03
 C    2.665200       1.888700      0.3204000    
 C    4.554700     -0.1293000     -0.3442000    
 C    4.029700       2.184900      0.2008000    
 C    4.955800       1.191900     -0.1261000    
 C   -4.863100      0.1429000      -1.283700    
 C   -5.129300       2.351400     -0.3761000    
 H  -0.5857000       1.268500      0.6399000    
 H   0.5669000      -3.473500     -0.5037000    
 H   -2.631000       1.441600     -0.5904000    
 H   -3.061300       1.634200       1.130300    
 H   -1.789100      -2.832400     -6.4700000E-02
 H    1.957700       2.672200      0.5750000    
 H    5.267400     -0.9050000     -0.5979000    
 H    4.371200       3.203700      0.3649000    
 H    6.008300       1.450400     -0.2124000    
 H   -4.637100     -0.9106000      -1.096100    
 H   -4.279400      0.4706000      -2.152400    
 H   -5.922300      0.1659000      -1.567200    
 H   -6.204100       2.336800     -0.5887000    
 H   -4.616100       2.824000      -1.221600    
 H   -4.993600       2.984900      0.5075000    


%chk=000045225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045225

0 1
O 2.835655 -1.717028 0.150719
O -3.580455 -1.609244 -0.034548
N -4.672812 1.018644 -0.141952
C 1.055879 -0.195172 0.014851
C 2.304237 0.567019 0.008807
C 1.431100 -1.569746 0.101568
C -1.277080 -0.907246 -0.014686
C -0.313069 0.135923 -0.045034
C 3.354834 -0.392670 0.093032
C 0.507668 -2.624720 0.133203
C -3.222990 0.817231 -0.159329
C -2.759882 -0.648456 -0.064332
C -0.853260 -2.270769 0.073105
C 2.640675 1.939112 -0.056043
C 4.714803 -0.063500 0.116023
C 4.006001 2.300817 -0.034675
C 5.027895 1.315038 0.050075
C -5.370583 0.477695 -1.326483
C -5.034676 2.421430 0.135692
H -0.618930 1.184221 -0.115552
H 0.833818 -3.665549 0.201535
H -2.734951 1.256210 -1.075776
H -2.784094 1.356590 0.703998
H -1.632788 -3.038888 0.094490
H 1.864050 2.708439 -0.121399
H 5.488533 -0.832848 0.181662
H 4.285849 3.358382 -0.084027
H 6.077622 1.626842 0.064884
H -5.179752 -0.603269 -1.402206
H -5.055660 0.973842 -2.281056
H -6.458087 0.626433 -1.206138
H -6.131423 2.501059 0.238392
H -4.714824 3.137275 -0.665636
H -4.581604 2.748402 1.089337


