%chk=000115608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115608

0 1
 O  -0.4868000     -0.5700000      -1.180100    
 N   -2.430600      0.4080000     -0.4164000    
 N   -4.745700     -0.9533000      0.5385000    
 C   -3.346900     -0.1703000      -1.382300    
 C   -3.271400       1.068900      0.5705000    
 C   -4.331000      0.9833000      -1.621100    
 C   -4.282700       1.808600     -0.3184000    
 C   -4.028000      -1.369900     -0.6846000    
 C   -3.948200     -5.0600000E-02   1.395000    
 C   -1.074100      0.1669000     -0.3864000    
 C   -5.238100      -2.104200       1.287500    
 C  -0.3099000      0.8813000      0.6975000    
 C    1.152500      0.5741000      0.6032000    
 C    1.675800     -0.5157000       1.292700    
 C    1.979900       1.380800     -0.1728000    
 C    3.871700      3.8000001E-03  0.4291000    
 C    5.328500     -0.3014000      0.3357000    
 C    3.038200     -0.8015000       1.205600    
 C    3.342400       1.095100     -0.2600000    
 C    5.827900     -0.6042000      -1.103800    
 C    6.187300      0.8404000      0.9198000    
 C    5.089200      -1.770400      -1.749100    
 H   -2.834000     -0.4891000      -2.294800    
 H   -2.715500       1.747200       1.221900    
 H   -5.341800      0.6418000      -1.865600    
 H   -3.983100       1.608900      -2.452000    
 H   -3.914800       2.815700     -0.5488000    
 H   -5.267000       1.915300      0.1485000    
 H   -4.737700      -1.833100      -1.380200    
 H   -3.264100      -2.119100     -0.4372000    
 H   -3.173500     -0.6202000       1.925600    
 H   -4.602800      0.4049000       2.147500    
 H   -4.422000      -2.735400       1.656700    
 H   -5.893500      -2.719400      0.6612000    
 H   -5.836600      -1.777900       2.145100    
 H  -0.4729000       1.961800      0.6058000    
 H  -0.6941000      0.5745000       1.677400    
 H    1.036000      -1.151200       1.898800    
 H    1.578400       2.232200     -0.7157000    
 H    5.545200      -1.192700      0.9411000    
 H    3.434100      -1.655900       1.748100    
 H    3.972500       1.734800     -0.8716000    
 H    5.726100      0.2796000      -1.745200    
 H    6.897500     -0.8460000      -1.068900    
 H    6.101900       1.760700      0.3319000    
 H    7.244700      0.5546000      0.9406000    
 H    5.882800       1.069300       1.947300    
 H    4.032700      -1.539400      -1.915000    
 H    5.154800      -2.668700      -1.127100    
 H    5.533500      -2.001100      -2.722800    


%chk=000115608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115608

0 1
O -0.660628 0.097313 -1.642989
N -2.524651 0.614791 -0.372846
N -4.751633 -1.055998 0.331804
C -3.525739 0.235447 -1.403394
C -3.338128 0.925048 0.830739
C -4.592424 1.359114 -1.254292
C -4.469836 1.819949 0.239024
C -4.091418 -1.149923 -0.996408
C -3.900668 -0.420838 1.365116
C -1.158220 0.482694 -0.538965
C -5.343450 -2.328926 0.775370
C -0.303811 0.878828 0.690554
C 1.181583 0.589723 0.560302
C 1.847657 -0.183424 1.540721
C 1.947362 1.108553 -0.515701
C 4.007890 0.096915 0.388950
C 5.516148 -0.153696 0.306496
C 3.238487 -0.425557 1.456312
C 3.333192 0.866761 -0.596461
C 5.920778 -0.918624 -0.988437
C 6.312758 1.173534 0.427598
C 5.296441 -2.325718 -1.099294
H -3.042227 0.183372 -2.390705
H -2.747943 1.431823 1.610222
H -5.601897 0.976060 -1.476764
H -4.368489 2.189660 -1.946053
H -4.185323 2.884840 0.305143
H -5.413839 1.672018 0.789082
H -4.844776 -1.485202 -1.734283
H -3.250686 -1.887762 -1.005455
H -3.036858 -1.070424 1.666179
H -4.517839 -0.244458 2.267277
H -4.585099 -3.129456 0.966473
H -6.043128 -2.701323 0.005442
H -5.914446 -2.170814 1.708553
H -0.465354 1.963978 0.863960
H -0.700750 0.363537 1.585721
H 1.276374 -0.603319 2.378833
H 1.446423 1.682257 -1.301729
H 5.795914 -0.796408 1.167575
H 3.731559 -1.029163 2.228779
H 3.897081 1.278437 -1.442689
H 5.632364 -0.313560 -1.871663
H 7.026642 -0.998989 -1.012994
H 6.089008 1.848187 -0.420000
H 7.401632 0.977933 0.425642
H 6.057463 1.709684 1.359420
H 4.193304 -2.270375 -1.115474
H 5.589967 -2.958007 -0.239363
H 5.626034 -2.836694 -2.022627


