%chk=000088960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088960

0 1
 O   -2.481800      0.9616000       1.750800    
 O   -2.310400       1.021500      -2.847200    
 N   -3.529000     -0.2562000      -1.326700    
 N   -2.115200       1.269900     -0.5309000    
 N   5.0099999E-02   1.857400      0.2377000    
 N    2.874600       1.280800      0.4580000    
 C   -3.683200     -0.3861000      0.1088000    
 C   -5.105100     -3.5200000E-02  0.5572000    
 C   -3.240300      -1.767400      0.6007000    
 C   -6.106700      -1.136000      0.2087000    
 C   -4.255300      -2.855700      0.2520000    
 C   -5.657000      -2.495500      0.7360000    
 C   -2.694800      0.6888000      0.5758000    
 C   -1.130000       2.332000     -0.4821000    
 C   -2.607000      0.7220000      -1.697800    
 C   0.6477000      0.7030000     -0.4446000    
 C    1.038300       2.932800      0.3854000    
 C    1.886500      0.2055000      0.3081000    
 C    2.276600       2.435600       1.139300    
 C    4.053600      0.8058000       1.179500    
 C    4.728100     -0.3338000      0.4630000    
 C    4.346900      -1.638600      0.7433000    
 C    5.721900     -6.3600004E-02 -0.4673000    
 C    4.972200      -2.694400      7.9899997E-02
 C    6.347100      -1.119300      -1.130700    
 C    5.972200      -2.434800     -0.8571000    
 H   -5.433400      0.9099000      0.1063000    
 H   -5.120600      0.1217000       1.643900    
 H   -3.109500      -1.745700       1.690800    
 H   -2.262400      -2.035000      0.1803000    
 H   -6.233800      -1.189400     -0.8794000    
 H   -7.087200     -0.8853000      0.6293000    
 H   -3.943700      -3.804800      0.7029000    
 H   -4.271900      -3.011600     -0.8334000    
 H   -5.671700      -2.483700       1.832800    
 H   -6.366200      -3.267200      0.4159000    
 H   -4.040600     -0.8167000      -2.001200    
 H   -1.588900       3.160700      6.9700003E-02
 H  -0.8912000       2.673900      -1.495900    
 H   0.9213000      0.9587000      -1.477600    
 H  -5.1399998E-02 -0.1396000     -0.4924000    
 H   0.6002000       3.763200      0.9525000    
 H    1.336800       3.328100     -0.5951000    
 H    1.587000     -0.2011000       1.283600    
 H    2.272300     -0.6153000     -0.3029000    
 H    3.003100       3.255900       1.186400    
 H    2.001900       2.182100       2.172300    
 H    3.799900      0.4972000       2.203500    
 H    4.778100       1.624100       1.289100    
 H    3.580300      -1.858000       1.481000    
 H    6.020300      0.9570000     -0.6896000    
 H    4.682600      -3.718800      0.2953000    
 H    7.125500     -0.9172000      -1.860700    
 H    6.459500      -3.256800      -1.373200    


%chk=000088960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088960

0 1
O -2.942388 1.842051 1.208127
O -1.970738 -0.455729 -2.785866
N -3.646433 -0.769285 -1.118444
N -2.213933 0.948264 -0.863111
N 0.188810 1.266263 -0.473192
N 2.761844 0.540885 0.569326
C -4.056470 -0.145738 0.161586
C -5.507388 0.414088 0.114496
C -3.884720 -1.110605 1.371406
C -6.564540 -0.715003 0.116457
C -4.943288 -2.237748 1.368363
C -6.379490 -1.664392 1.323913
C -3.028918 1.010048 0.267491
C -1.012171 1.797830 -1.092197
C -2.559863 -0.152018 -1.717591
C 1.205548 0.665722 -1.361282
C 0.766882 2.016237 0.659028
C 2.148055 -0.230989 -0.542135
C 1.715492 1.105046 1.457725
C 3.771715 -0.242270 1.318145
C 5.040620 -0.520666 0.516241
C 5.740235 -1.740950 0.681414
C 5.567336 0.456606 -0.365935
C 6.950334 -1.979559 -0.010594
C 6.772640 0.219497 -1.062601
C 7.471249 -0.998678 -0.885252
H -5.621532 1.055434 -0.779404
H -5.641594 1.058987 1.004407
H -3.979958 -0.504311 2.292909
H -2.862199 -1.531925 1.357707
H -6.497431 -1.296444 -0.827036
H -7.576027 -0.266884 0.131857
H -4.808400 -2.867192 2.268193
H -4.782600 -2.905313 0.495739
H -6.575362 -1.103583 2.260510
H -7.118727 -2.486606 1.279899
H -4.089748 -1.585504 -1.533554
H -1.267118 2.791721 -0.681423
H -0.906587 1.868988 -2.190647
H 1.817227 1.448230 -1.873374
H 0.694703 0.061923 -2.132111
H -0.053100 2.360421 1.314665
H 1.343804 2.908036 0.311678
H 1.565895 -1.103583 -0.150681
H 2.953180 -0.616844 -1.192332
H 2.206032 1.693666 2.255973
H 1.107922 0.298360 1.941610
H 3.356522 -1.213053 1.694463
H 4.039685 0.351131 2.216563
H 5.336129 -2.509197 1.353255
H 5.009089 1.390009 -0.499178
H 7.480495 -2.928977 0.127415
H 7.168738 0.982494 -1.742932
H 8.406844 -1.182489 -1.425687


