%chk=000004631.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004631

0 1
 O  -0.1533000     -0.7351000      -1.337500    
 O   -2.078300      0.3011000      -3.055700    
 O    1.658000      0.8653000      3.5399999E-02
 N   -3.029000      0.1149000      0.5181000    
 C   -2.664800      0.7023000     -0.7641000    
 C   -2.469200     -0.3597000      -1.848700    
 C   -3.153600       1.141000       1.544400    
 C   -1.405000      -1.396200      -1.495300    
 C   -1.833400       1.888900       1.707700    
 C   -3.584000      0.4957000       2.857900    
 C   0.7258000      -1.287100     -0.4447000    
 C    1.630900     -0.4812000      0.2391000    
 C   0.7028000      -2.661900     -0.2311000    
 C    2.521500      -1.056100       1.145800    
 C    1.593400      -3.236500      0.6757000    
 C    2.502700      -2.433600       1.364000    
 C    2.914000       1.520600      0.2003000    
 C    2.981900       2.672700     -0.7464000    
 C    3.139600       3.944900     -0.3649000    
 H   -1.733400       1.275500     -0.7156000    
 H   -3.438900       1.407500      -1.094000    
 H   -3.416800     -0.8750000      -2.046000    
 H   -3.933700       1.859200       1.260900    
 H   -3.906300     -0.3962000      0.4251000    
 H   -1.305400      -2.108600      -2.323000    
 H   -1.721000      -1.932700     -0.5924000    
 H   -1.851100       2.494400       2.621700    
 H  -0.9831000       1.202500       1.793000    
 H   -1.641200       2.587900      0.8879000    
 H   -4.541000     -2.6100000E-02   2.746300    
 H   -3.710700       1.253100       3.639100    
 H   -2.841800     -0.2295000       3.210700    
 H   -2.787100      0.9239000      -3.291200    
 H   3.5799999E-02  -3.328600     -0.7690000    
 H    3.224700     -0.4663000       1.726400    
 H    1.583500      -4.309800      0.8415000    
 H    3.192200      -2.881100       2.074000    
 H    3.757000      0.8636000     -5.0099999E-02
 H    3.009900       1.850100       1.241400    
 H    2.901600       2.453100      -1.807900    
 H    3.183500       4.738200      -1.103200    
 H    3.226700       4.217400      0.6811000    


%chk=000004631-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004631

0 1
O -0.315518 -0.787352 -0.896918
O -2.179980 -0.416531 -3.177108
O 1.703959 0.762056 -0.201564
N -3.296094 0.470046 0.330180
C -2.714066 0.696658 -1.004650
C -2.573352 -0.637102 -1.774795
C -2.950202 1.457380 1.392942
C -1.531022 -1.569588 -1.160313
C -1.507329 1.233764 1.896255
C -3.966332 1.311147 2.544241
C 0.755435 -1.439630 -0.286779
C 1.862666 -0.606091 0.076362
C 0.812607 -2.825498 -0.018515
C 3.000902 -1.180129 0.682381
C 1.959008 -3.391284 0.591483
C 3.050566 -2.573350 0.938026
C 2.856981 1.642062 0.081073
C 2.492889 3.018109 -0.409041
C 2.636559 4.148196 0.324895
H -1.707945 1.132676 -0.896835
H -3.318694 1.403120 -1.632112
H -3.549362 -1.175278 -1.747122
H -3.023349 2.502120 0.998297
H -4.311066 0.308654 0.285742
H -1.313505 -2.389588 -1.872750
H -1.922593 -1.976200 -0.207511
H -1.235230 2.010177 2.636153
H -1.428844 0.240645 2.375193
H -0.769980 1.269046 1.075497
H -4.997993 1.532718 2.207182
H -3.723120 2.004429 3.368464
H -3.942790 0.278893 2.940336
H -2.637300 0.395217 -3.514811
H -0.028698 -3.470718 -0.286943
H 3.851150 -0.553594 0.967410
H 1.988763 -4.467919 0.789655
H 3.940071 -3.004628 1.409052
H 3.744222 1.254009 -0.465719
H 3.083697 1.648109 1.166656
H 2.112664 3.061810 -1.438340
H 2.396067 5.133320 -0.089025
H 2.999558 4.122620 1.360077


