%chk=000107823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107823

0 1
 O  -0.3643000     -0.7998000      -1.717400    
 O   -3.429900      7.9999998E-02  -1.877200    
 O    1.910300     -0.7448000       1.366200    
 O    4.557200      -3.892500       1.008600    
 N   -1.784100     -0.3008000      4.1700002E-02
 N    1.580300      0.4885000     -0.5822000    
 N   -4.462600      -1.969700      -1.714600    
 N    4.244600      -1.595500      0.6790000    
 N  -0.3217000       4.519800      0.1103000    
 N    1.748000       5.079500      0.6894000    
 C   -3.472500      -1.542200       1.169100    
 C   -2.701500      -1.421500     -0.1621000    
 C   -3.493800     -8.3499998E-02   1.667700    
 C   -2.150500      0.4806000       1.220600    
 C   -2.683500      -2.434400       2.148600    
 C   -4.888400      -2.110700       1.031200    
 C  -0.6439000     -0.1219000     -0.7272000    
 C   -3.548500      -1.015800      -1.334300    
 C   0.2705000      0.9921000     -0.2838000    
 C  -6.6500001E-02   2.278600      -1.026900    
 C    3.622400     -0.7412000     -0.2924000    
 C    2.296200     -0.3427000      0.2717000    
 C    3.497600      -1.621900      -1.521200    
 C   0.4760000       3.495300     -0.3154000    
 C    3.418500      -3.042000     -0.9615000    
 C    4.155300      -2.944300      0.3520000    
 C    1.748700       3.863600      5.2800000E-02
 C   0.4861000       5.447300      0.7072000    
 H   -2.140200      -2.325100     -0.4271000    
 H   -3.640400      8.3999997E-03   2.748500    
 H   -4.299700      0.4761000       1.175800    
 H   -1.390400      0.3234000       1.993000    
 H   -2.203000       1.545900      0.9800000    
 H   -2.640000      -3.467200       1.784600    
 H   -1.651900      -2.091700       2.282500    
 H   -3.157400      -2.447700       3.136600    
 H   -5.553400      -1.474200      0.4399000    
 H   -5.356200      -2.171300       2.022700    
 H   -4.886800      -3.131000      0.6357000    
 H   0.2221000       1.135600      0.7989000    
 H   0.3346000       2.261600      -2.048500    
 H   -1.154400       2.387100      -1.126100    
 H    1.987600      0.7284000      -1.481700    
 H    4.242700      0.1441000     -0.4601000    
 H   -5.105800      -1.791200      -2.478900    
 H   -4.448700      -2.918300      -1.357000    
 H    2.648300      -1.394900      -2.171800    
 H    4.409200      -1.532000      -2.125900    
 H    3.894800      -3.767500      -1.625300    
 H    2.383100      -3.335900     -0.7633000    
 H    4.671100      -1.258900       1.536800    
 H   -1.325700       4.583100      5.7000001E-03
 H    2.667700       3.318500     -0.1075000    
 H   9.5100001E-02   6.360900       1.131600    


%chk=000107823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107823

0 1
O -1.170954 -0.102611 -1.998389
O -5.354799 -0.584151 -0.386856
O 0.990153 -0.636692 1.319836
O 4.319906 -3.111796 2.288102
N -2.093797 -0.250728 0.129347
N 1.167333 0.880509 -0.426240
N -4.013876 -0.492158 -2.289858
N 3.831669 -1.095114 1.166098
N 0.815573 4.445550 0.167120
N 2.442796 5.111028 -1.253298
C -3.197477 -2.145221 1.084180
C -2.984032 -1.388901 -0.265125
C -3.274724 -0.953925 2.088405
C -2.199997 0.046668 1.594136
C -1.927396 -2.999556 1.363505
C -4.446825 -3.050026 1.124331
C -1.204773 0.268220 -0.768076
C -4.246502 -0.798200 -0.964781
C -0.217276 1.363811 -0.287917
C -0.421827 2.633011 -1.171037
C 3.090773 -0.602096 0.007700
C 1.669125 -0.116715 0.378940
C 3.005557 -1.882261 -0.904392
C 0.639819 3.680531 -0.999574
C 3.095631 -3.062278 0.092499
C 3.824020 -2.483095 1.318774
C 1.658176 4.113862 -1.858610
C 1.907687 5.287819 -0.031137
H -2.441548 -2.010330 -1.000739
H -3.080657 -1.274995 3.126007
H -4.279838 -0.501943 2.033739
H -1.215395 -0.127846 2.062938
H -2.509799 1.094515 1.761406
H -1.848484 -3.828065 0.634514
H -0.997096 -2.404786 1.312304
H -1.988686 -3.446808 2.372678
H -5.368611 -2.468948 0.967028
H -4.504731 -3.558346 2.104763
H -4.391273 -3.835606 0.346973
H -0.392334 1.595572 0.778090
H -0.429433 2.304385 -2.225804
H -1.431204 3.035006 -0.959213
H 1.751261 1.306946 -1.150664
H 3.638130 0.212567 -0.504832
H -4.761689 -0.054093 -2.828827
H -3.049045 -0.516737 -2.648733
H 2.086991 -1.887885 -1.513780
H 3.873032 -1.887251 -1.586852
H 3.642641 -3.934215 -0.298879
H 2.098429 -3.403564 0.424144
H 4.139945 -0.490049 1.928125
H 0.241326 4.391934 1.008125
H 1.855677 3.788157 -2.878517
H 2.260725 5.993199 0.717321


