%chk=000002894.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002894

0 1
 O   -4.442200       1.157600       2.112500    
 O   -5.852300     -0.7709000     -0.4184000    
 O    6.097300       1.824000      0.9911000    
 O    7.053700     -0.6969000      0.3190000    
 N  -0.5851000     -0.2825000     -0.3704000    
 N   -3.339400      0.3034000      0.2606000    
 N    1.641000      0.4124000      8.1900001E-02
 N    1.185200      -1.835300     -0.6576000    
 N    2.934200      -3.382600     -0.9459000    
 C   -1.079500       1.081600     -0.6245000    
 C   -2.334900       1.386500      0.2413000    
 C   -1.279900       1.300000      -2.137700    
 C   -2.946700       2.742400     -0.1677000    
 C   -1.926700       2.641400      -2.455900    
 C   -3.211400       2.840800      -1.665900    
 C   -1.562900      -1.350700     -0.1310000    
 C   -2.992200     -0.9269000     -0.4509000    
 C   0.7823000     -0.5780000     -0.3147000    
 C   -4.438900      0.3907000       1.147000    
 C   -5.599700     -0.4570000      0.8734000    
 C    2.955800      0.1359000      0.1371000    
 C    2.507700      -2.078300     -0.5911000    
 C    3.452600      -1.133800     -0.1999000    
 C   -6.521800      -1.019600       1.712500    
 C    3.871300       1.107800      0.5335000    
 C   -7.413300      -1.736200      0.8791000    
 C    4.829300      -1.411600     -0.1383000    
 C   -6.963200      -1.553800     -0.4077000    
 C    5.241800      0.8394000      0.5974000    
 C    5.721600     -0.4215000      0.2612000    
 C    6.386600       1.937900       2.369500    
 C    7.829600     -0.4663000     -0.8397000    
 H  -0.3251000       1.814400     -0.3059000    
 H   -2.002300       1.477300       1.285100    
 H   -1.880900      0.5020000      -2.583100    
 H  -0.3067000       1.244600      -2.642500    
 H   -2.250300       3.541200      0.1195000    
 H   -3.878300       2.941300      0.3719000    
 H   -2.138200       2.702600      -3.529400    
 H   -1.223000       3.450400      -2.224500    
 H   -3.632000       3.825800      -1.898200    
 H   -3.956900       2.095000      -1.966300    
 H   -1.498800      -1.649800      0.9229000    
 H   -1.328500      -2.231600     -0.7403000    
 H   -3.147300     -0.7596000      -1.519300    
 H   -3.648300      -1.749800     -0.1536000    
 H   -6.556900     -0.9320000       2.789000    
 H    3.513500       2.101400      0.7996000    
 H   -8.275800      -2.313700       1.178800    
 H    5.231100      -2.390300     -0.3861000    
 H   -7.303000      -1.895700      -1.374400    
 H    3.810700      -3.485200      -1.441700    
 H    2.197500      -4.032700      -1.194800    
 H    6.853100       1.022000       2.746400    
 H    5.477000       2.152700       2.939700    
 H    7.087000       2.765900       2.510400    
 H    8.867800     -0.7312000     -0.6212000    
 H    7.794900      0.5894000      -1.127500    
 H    7.480300      -1.088900      -1.669700    


%chk=000002894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002894

0 1
O -4.901819 0.875635 1.823536
O -5.867298 -1.204563 -1.015122
O 6.139201 2.021868 0.078098
O 7.100103 -0.731979 0.154068
N -0.649336 -0.335220 -0.099470
N -3.494156 0.209499 0.075492
N 1.567326 0.450299 -0.029779
N 1.047308 -1.946494 0.093076
N 2.679314 -3.586714 0.261265
C -1.128258 1.065604 -0.198288
C -2.491716 1.239290 0.522069
C -1.099681 1.577851 -1.667370
C -3.010525 2.690989 0.327484
C -1.625561 3.026074 -1.774448
C -3.034054 3.138357 -1.149799
C -1.637191 -1.431136 -0.121873
C -2.973028 -0.940467 -0.707039
C 0.704007 -0.603133 -0.009770
C -4.690613 0.156597 0.786903
C -5.787350 -0.733108 0.324947
C 2.912885 0.138161 0.044908
C 2.362017 -2.249020 0.160002
C 3.393697 -1.223722 0.128797
C -6.925968 -1.136749 1.012493
C 3.872184 1.199049 0.048147
C -7.744557 -1.892356 0.095472
C 4.794506 -1.478772 0.153926
C -7.076618 -1.909887 -1.119058
C 5.241166 0.932549 0.106611
C 5.715718 -0.429064 0.125347
C 7.015968 2.142618 1.268095
C 7.826728 -0.354939 -1.082628
H -0.401350 1.684069 0.361204
H -2.336172 1.082827 1.609531
H -1.708011 0.922632 -2.319398
H -0.054074 1.511925 -2.019265
H -2.329237 3.356786 0.896432
H -4.003613 2.781756 0.796367
H -1.638082 3.343295 -2.834849
H -0.934290 3.712165 -1.242572
H -3.405629 4.178907 -1.214491
H -3.746241 2.506444 -1.718366
H -1.799181 -1.831121 0.900381
H -1.242629 -2.262626 -0.731412
H -2.849760 -0.667514 -1.770064
H -3.695752 -1.767222 -0.666033
H -7.136489 -0.893648 2.051171
H 3.520734 2.233331 0.015718
H -8.705326 -2.357226 0.306777
H 5.204913 -2.494925 0.174407
H -7.291280 -2.332348 -2.097026
H 3.635227 -3.911817 0.362445
H 1.911462 -4.254355 0.287928
H 7.604492 1.220701 1.421530
H 6.403970 2.354571 2.164958
H 7.677627 2.996005 1.055826
H 8.879859 -0.615628 -0.896370
H 7.724710 0.726633 -1.284250
H 7.440222 -0.935333 -1.942073


