%chk=000085286.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085286

2 1
 O    3.108700      -1.956700      0.7032000    
 N   -3.860000       1.823600      0.2205000    
 N    2.081900      0.4111000     -0.3942000    
 N    1.656400      0.9692000      0.6438000    
 N    7.575500     -0.4180000      1.6200000E-02
 N   -8.174400      -1.647000     -0.4695000    
 N    8.649900     -0.5873000      0.1001000    
 N   -9.018900      -2.327000     -0.6039000    
 C    5.720200      0.9796000     -0.6381000    
 C    3.461500      0.1968000     -0.2891000    
 C    3.956200     -0.9865000      0.2592000    
 C    4.343500       1.179900     -0.7379000    
 C    6.215000     -0.2037000     -8.9699998E-02
 C    5.333000      -1.186800      0.3588000    
 C   -2.470400       1.609400      0.3285000    
 C   -4.949600      0.9481000      4.5100000E-02
 C   0.2716000       1.184500      0.5388000    
 C    6.647700       2.044400      -1.124100    
 C   -1.988900      0.4217000      0.8789000    
 C   -1.577600       2.584200     -0.1165000    
 C  -0.6143000      0.2086000      0.9843000    
 C  -0.2031000       2.371300     -1.1200000E-02
 C    3.208300      -3.237200      8.3600000E-02
 C   -6.201700       1.276400      0.5674000    
 C   -4.778800     -0.2502000     -0.6498000    
 C   -7.280100      0.4086000      0.3952000    
 C   -5.857200      -1.117900     -0.8221000    
 C   -7.107900     -0.7886000     -0.2996000    
 C    1.853000      -3.910500      0.1222000    
 H    3.951300       2.100000      -1.165200    
 H    5.725400      -2.103000      0.7931000    
 H   -4.127600       2.802100      0.2798000    
 H    7.285700       1.657800      -1.925800    
 H    6.105300       2.907800      -1.524600    
 H    7.277500       2.405000     -0.3041000    
 H   -2.660600     -0.3457000       1.253700    
 H   -1.940600       3.513300     -0.5483000    
 H  -0.2470000     -0.7176000       1.418400    
 H   0.4858000       3.135900     -0.3601000    
 H    3.535200      -3.145000     -0.9597000    
 H    3.939500      -3.841900      0.6310000    
 H   -6.348400       2.205800       1.111900    
 H   -3.822000     -0.5228000      -1.086700    
 H   -8.251200      0.6721000      0.8056000    
 H   -5.716300      -2.046700      -1.368600    
 H    1.895200      -4.902000     -0.3370000    
 H    1.502800      -4.013500       1.154600    
 H    1.108200      -3.306800     -0.4070000    


%chk=000085286-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085286

2 1
O 3.436185 -2.243430 0.809013
N -4.104330 1.595193 0.772897
N 2.078736 -0.012804 0.135730
N 1.529152 1.133678 0.436124
N 7.473260 -0.356061 -1.129284
N -8.511507 -0.690177 -1.753126
N 8.598628 -0.437471 -1.418913
N -9.442132 -1.157056 -2.275513
C 5.492098 1.012585 -1.065862
C 3.457308 -0.031197 -0.102196
C 4.161974 -1.268859 0.180186
C 4.138502 1.065864 -0.708199
C 6.149876 -0.242379 -0.790966
C 5.516653 -1.372361 -0.181867
C -2.700744 1.415088 0.617272
C -5.163524 0.992357 0.121615
C 0.109169 1.147267 0.468111
C 6.223236 2.181084 -1.683879
C -2.122457 0.159026 0.260012
C -1.863648 2.524215 0.924249
C -0.730703 0.027762 0.183364
C -0.470128 2.390025 0.850321
C 4.099265 -3.553731 1.131636
C -6.486451 1.207618 0.650132
C -5.010267 0.212002 -1.077466
C -7.604672 0.653040 0.042203
C -6.118713 -0.344061 -1.707111
C -7.421548 -0.137665 -1.142214
C 3.047790 -4.428179 1.797871
H 3.565055 1.979283 -0.893415
H 6.091439 -2.282772 -0.000217
H -4.363529 2.299292 1.473458
H 6.618162 1.935393 -2.688104
H 5.551617 3.045079 -1.798216
H 7.078198 2.508504 -1.062429
H -2.753857 -0.721747 0.113703
H -2.304326 3.487002 1.205527
H -0.268828 -0.935043 -0.055904
H 0.191702 3.230203 1.079602
H 4.466126 -3.997204 0.185129
H 4.952359 -3.348174 1.807317
H -6.619625 1.806989 1.557301
H -4.027959 0.090322 -1.537677
H -8.604216 0.809942 0.457757
H -6.003152 -0.915918 -2.632666
H 3.496936 -5.401915 2.062300
H 2.672160 -3.961455 2.723208
H 2.198429 -4.614355 1.120288


