%chk=000051896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051896

0 1
 O   -1.261900     -0.1992000       1.247600    
 O    1.212400      1.2300000E-02 -5.2499998E-02
 O    2.675200      -1.359200      -1.152200    
 N   -3.662500     -4.7400001E-02 -0.3454000    
 N    3.405500      0.3415000      0.2811000    
 C   -3.827500       1.242000      -1.018200    
 C   -4.814300     -0.9075000     -0.5957000    
 C   -2.428700     -0.6981000     -0.7886000    
 C   -4.686400       2.224200     -0.2032000    
 C   -4.981100      -1.994100      0.4804000    
 C   -1.184700     -5.2700002E-02 -0.1733000    
 C   -4.026500       2.484500       1.153600    
 C   -4.908800       3.552800     -0.9304000    
 C   -5.174500      -1.338800       1.850600    
 C   -6.154100      -2.933800      0.1895000    
 C   0.1223000     -0.6773000     -0.6563000    
 C    2.470300     -0.4277000     -0.3835000    
 C    4.814100      0.2350000      0.2313000    
 C    5.606200       1.107600      0.9776000    
 C    5.412200     -0.7430000     -0.5635000    
 C    6.996300       1.002400      0.9289000    
 C    6.802300     -0.8481000     -0.6120000    
 C    7.594200      2.4700001E-02  0.1342000    
 H   -4.265700       1.103000      -2.016600    
 H   -2.868200       1.738400      -1.201300    
 H   -4.748400      -1.370900      -1.589900    
 H   -5.744500     -0.3250000     -0.6079000    
 H   -2.422200      -1.749800     -0.4799000    
 H   -2.356500     -0.6944000      -1.884500    
 H   -5.676500       1.790300     -1.9900000E-02
 H   -4.083100      -2.620500      0.5291000    
 H   -1.137500       1.022700     -0.3690000    
 H   -3.016600       2.891800       1.033600    
 H   -4.611000       3.207600       1.733200    
 H   -3.956200       1.574100       1.755200    
 H   -3.959200       4.063800      -1.122200    
 H   -5.541800       4.221900     -0.3380000    
 H   -5.404200       3.386100      -1.892600    
 H   -6.022700     -0.6456000       1.847900    
 H   -5.365300      -2.097300       2.617800    
 H   -4.281000     -0.7893000       2.162400    
 H   -7.102200      -2.386300      0.1591000    
 H   -6.233900      -3.710300      0.9576000    
 H   -6.018400      -3.430300     -0.7770000    
 H   0.1662000      -1.731500     -0.3575000    
 H   0.1972000     -0.5992000      -1.746800    
 H  -0.4614000      0.2032000       1.626000    
 H    3.038800       1.076300      0.8812000    
 H    5.153000       1.874000       1.601100    
 H    4.864600      -1.452800      -1.167600    
 H    7.613100       1.681800       1.510000    
 H    7.269300      -1.609100      -1.230400    
 H    8.676500     -5.7200000E-02  9.6400000E-02


%chk=000051896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051896

0 1
O -1.276827 -1.015688 1.176780
O 1.152750 -0.180241 -0.006733
O 2.699089 -0.973450 -1.597947
N -3.713118 -0.091627 -0.506170
N 3.354948 0.137082 0.396751
C -3.885662 1.214265 -1.187699
C -4.936506 -0.928754 -0.505082
C -2.487343 -0.811711 -0.907195
C -4.597027 2.285802 -0.318896
C -5.012909 -1.954390 0.656854
C -1.244822 -0.337260 -0.129637
C -3.742395 2.655460 0.912965
C -4.927591 3.530618 -1.174860
C -4.928167 -1.258057 2.031881
C -6.304038 -2.795049 0.517541
C 0.049829 -0.679711 -0.873179
C 2.457732 -0.397817 -0.509874
C 4.776346 0.154827 0.310812
C 5.483917 0.771609 1.377161
C 5.489926 -0.409566 -0.778977
C 6.892116 0.824676 1.355583
C 6.900233 -0.347411 -0.783768
C 7.611070 0.264860 0.273724
H -4.441119 1.098606 -2.154306
H -2.881995 1.605413 -1.451732
H -5.061993 -1.473547 -1.477832
H -5.806939 -0.249950 -0.414618
H -2.608070 -1.887128 -0.688834
H -2.292013 -0.721812 -2.006356
H -5.552029 1.852514 0.045027
H -4.145866 -2.642804 0.578100
H -1.291525 0.762953 0.015789
H -2.811516 3.170560 0.600621
H -4.291185 3.335198 1.591058
H -3.465312 1.744520 1.471764
H -4.002679 3.987855 -1.578096
H -5.443304 4.299502 -0.570635
H -5.580501 3.275399 -2.031219
H -5.773490 -0.554563 2.170098
H -4.965370 -2.000265 2.851434
H -3.983659 -0.693895 2.110139
H -7.202613 -2.154945 0.617002
H -6.355927 -3.568627 1.305387
H -6.356692 -3.304085 -0.464214
H 0.170093 -1.769416 -1.010610
H 0.109120 -0.178954 -1.856843
H -0.460284 -0.751045 1.674167
H 2.931933 0.575466 1.217598
H 4.932999 1.208334 2.220208
H 4.943029 -0.882558 -1.597099
H 7.425939 1.303201 2.183996
H 7.446491 -0.784523 -1.627121
H 8.705126 0.305729 0.256589


