%chk=000131694.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131694

0 1
 O  -0.9739000       2.825100     -0.1278000    
 N   0.5023000       1.035700     -0.2696000    
 N    2.145100     -0.6016000     -0.4288000    
 N   -2.345900      -1.674400     -6.2600002E-02
 N   -1.862900      0.6981000     -7.3700003E-02
 N   -1.725100      -2.870500     -0.1317000    
 C    2.808300      0.7515000     -0.4547000    
 C    1.696200       1.839400     -0.3859000    
 C   0.8938000     -0.2804000     -0.3190000    
 C    3.772700      0.8392000      0.7198000    
 C  -0.2255000      -1.166400     -0.2358000    
 C  -0.8124000       1.478900     -0.1542000    
 C   -1.491600     -0.6153000     -0.1210000    
 C    5.057000      0.1028000      0.4446000    
 C  -0.4288000      -2.551000     -0.2369000    
 C    5.162200      -1.238200      0.7863000    
 C    6.117000      0.7753000     -0.1473000    
 C   -3.734300      -1.615200      5.5100001E-02
 C   -2.344700       3.187800     -9.3000000E-03
 C    6.351800      -1.920600      0.5313000    
 C    7.306500      9.2699997E-02 -0.4024000    
 C   -2.453500       4.704800     -6.8999999E-03
 C   -4.320400     -0.5484000      0.7245000    
 C   -4.513400      -2.621400     -0.5012000    
 C    7.423800      -1.255200     -6.3000001E-02
 C   -3.892700       5.167600      0.1323000    
 C   -5.709200     -0.4872000      0.8397000    
 C   -5.902200      -2.560100     -0.3861000    
 C   -6.500100      -1.492800      0.2844000    
 H    3.340800      0.8549000      -1.408900    
 H    1.679600       2.430700      -1.307700    
 H    1.813400       2.512400      0.4695000    
 H    4.019500       1.888900      0.9271000    
 H    3.312300      0.4566000       1.640300    
 H   0.2994000      -3.345900     -0.3092000    
 H    4.334600      -1.766400       1.251500    
 H    6.035500       1.824200     -0.4179000    
 H   -2.758100       2.803300      0.9320000    
 H   -2.918800       2.796700     -0.8593000    
 H   -1.850000       5.115800      0.8114000    
 H   -2.020600       5.106400     -0.9309000    
 H    6.443400      -2.970000      0.7958000    
 H    8.141100      0.6106000     -0.8659000    
 H   -3.755800      0.2254000       1.232200    
 H   -4.077700      -3.459300      -1.039200    
 H    8.350000      -1.786500     -0.2618000    
 H   -4.505400       4.799500     -0.6969000    
 H   -4.331400       4.809600       1.069200    
 H   -3.941300       6.261000      0.1309000    
 H   -6.174700      0.3357000       1.374500    
 H   -6.518600      -3.342000     -0.8200000    
 H   -7.581300      -1.446600      0.3765000    


%chk=000131694-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131694

0 1
O -1.007332 2.853808 -0.090260
N 0.428611 1.061706 -0.210383
N 2.105500 -0.544099 -0.343023
N -2.503823 -1.746755 -0.001009
N -1.933619 0.674867 -0.044465
N -1.807498 -2.979690 -0.042365
C 2.785104 0.800215 -0.432202
C 1.658691 1.889514 -0.239761
C 0.813903 -0.337844 -0.237554
C 3.920882 0.949555 0.613155
C -0.311078 -1.235636 -0.149697
C -0.874645 1.484245 -0.112464
C -1.617416 -0.675822 -0.063321
C 5.194038 0.163666 0.313828
C -0.494905 -2.647794 -0.132252
C 5.150480 -1.204437 -0.068394
C 6.459211 0.792618 0.443603
C -3.935416 -1.773741 0.096476
C -2.400080 3.392095 0.009418
C 6.345560 -1.917291 -0.311422
C 7.655529 0.078613 0.202758
C -2.280051 4.915573 0.031615
C -4.687026 -0.571629 0.123492
C -4.588399 -3.030464 0.163893
C 7.602357 -1.282159 -0.175360
C -3.672255 5.579778 0.125291
C -6.093580 -0.639722 0.219626
C -5.993748 -3.077354 0.259434
C -6.756230 -1.886013 0.288128
H 3.227529 0.882370 -1.444110
H 1.618563 2.620624 -1.063501
H 1.768388 2.439133 0.713492
H 4.177829 2.025143 0.687359
H 3.506057 0.650790 1.597697
H 0.257483 -3.431945 -0.180533
H 4.174505 -1.688060 -0.178747
H 6.508897 1.849660 0.736108
H -2.863297 2.991653 0.929778
H -2.976378 3.027331 -0.860706
H -1.654603 5.218459 0.891960
H -1.758213 5.252509 -0.883377
H 6.296388 -2.971996 -0.606580
H 8.623379 0.582315 0.308566
H -4.169761 0.388319 0.070076
H -3.986549 -3.941135 0.140122
H 8.527355 -1.839331 -0.363088
H -4.306482 5.310393 -0.739720
H -4.204712 5.273337 1.044857
H -3.577682 6.679497 0.142743
H -6.672881 0.290361 0.240126
H -6.494394 -4.050491 0.311673
H -7.848185 -1.929542 0.362320


