%chk=000049734.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049734

0 1
 O    4.904900     -0.9055000     -0.5509000    
 O   6.8700001E-02 -0.1512000      -1.196400    
 N    2.406200      0.2597000      6.6000000E-02
 N   -1.189000      0.2317000      0.7487000    
 C    4.832200      0.4190000     -2.6500000E-02
 C    3.588800      0.5279000      0.8526000    
 C    1.193000      0.3858000      0.8696000    
 C   -2.521800      5.9599999E-02  0.3048000    
 C    6.097900      0.6960000      0.7735000    
 C   -3.226000       1.152700     -0.1778000    
 C   -3.101400      -1.199200      0.3607000    
 C  -2.1400001E-02  0.1218000     -3.7000000E-03
 C   -4.539800      0.9833000     -0.6144000    
 C   -4.415300      -1.368700     -7.5999998E-02
 C   -2.616700       2.515900     -0.2441000    
 C   -2.356800      -2.387600      0.8776000    
 C   -5.134500     -0.2774000     -0.5635000    
 C    6.031000      -1.063800      -1.400200    
 H    4.752900       1.136900     -0.8538000    
 H    3.656700     -0.1972000       1.673500    
 H    3.538900       1.533200       1.287900    
 H    2.460700     -0.6801000     -0.3267000    
 H    1.194100     -0.3370000       1.693900    
 H    1.105200       1.399200       1.278400    
 H    6.001100       1.623700       1.347600    
 H    6.316400     -0.1208000       1.470300    
 H    6.972600      0.8178000      0.1264000    
 H   -1.104300      0.5002000       1.726700    
 H   -5.114600       1.822100     -0.9978000    
 H   -4.894000      -2.343800     -4.4300001E-02
 H   -3.341300       3.271100     -0.5675000    
 H   -2.250600       2.822800      0.7413000    
 H   -1.787300       2.528700     -0.9587000    
 H   -1.980700      -2.197200       1.888300    
 H   -2.995400      -3.275900      0.9341000    
 H   -1.516700      -2.627700      0.2179000    
 H   -6.157400     -0.4094000     -0.9038000    
 H    6.946500      -1.206800     -0.8192000    
 H    6.137200     -0.2272000      -2.098400    
 H    5.878100      -1.974100      -1.988000    


%chk=000049734-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049734

0 1
O 4.769712 -0.910610 -0.498690
O 0.169892 -0.995447 -0.485621
N 2.438335 0.394302 0.388551
N -1.183297 0.441529 0.784088
C 4.887619 0.422835 0.137185
C 3.709159 0.492846 1.119564
C 1.239983 0.395740 1.227253
C -2.473903 0.123316 0.229810
C 6.249470 0.600243 0.830494
C -3.252655 1.200696 -0.289892
C -2.967341 -1.213487 0.246268
C 0.038399 -0.116066 0.413677
C -4.536197 0.919456 -0.811572
C -4.252474 -1.451932 -0.303358
C -2.708720 2.619164 -0.300076
C -2.177084 -2.355080 0.849974
C -5.033565 -0.402025 -0.828907
C 5.495347 -1.035608 -1.760599
H 4.740469 1.201528 -0.644456
H 3.839862 -0.315955 1.884176
H 3.754106 1.461364 1.657714
H 2.438011 -0.404801 -0.263630
H 1.327714 -0.273917 2.125663
H 1.041423 1.416216 1.619533
H 6.313848 1.593399 1.313006
H 6.390332 -0.176252 1.603570
H 7.082555 0.524919 0.109164
H -1.136873 1.259333 1.397568
H -5.139420 1.739241 -1.218652
H -4.643392 -2.476067 -0.302457
H -3.380882 3.290592 -0.859940
H -2.610477 3.039913 0.721837
H -1.708924 2.664560 -0.770447
H -1.715548 -2.061765 1.811481
H -2.825467 -3.229837 1.028146
H -1.350126 -2.653353 0.179922
H -6.026029 -0.610091 -1.243718
H 6.595061 -0.984940 -1.619685
H 5.187657 -0.249917 -2.483050
H 5.231519 -2.025542 -2.165796


