%chk=000290821.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290821

0 1
O 3.690280 -1.840797 0.412488
N -6.805199 -0.104049 -1.151539
N -6.637165 1.148558 0.961370
N 4.300845 0.328796 -0.083170
N -4.619694 1.245787 2.139628
N -8.665809 1.043848 -0.243054
C -3.229854 -0.237514 0.030523
C -4.664556 0.068366 -0.021573
C -5.477387 -0.388662 -1.084429
C -2.327369 0.459668 -0.789674
C -2.748063 -1.226294 0.906582
C -0.478522 -0.812686 0.141714
C -5.297487 0.825912 1.007748
C -0.963006 0.174218 -0.733384
C -1.385969 -1.515937 0.955960
C -4.922492 -1.221559 -2.189548
C 0.951245 -1.138581 0.219026
C 5.725996 0.194992 -0.047174
C 7.881139 1.289013 -0.289048
C -7.338199 0.676582 -0.131234
C 6.482664 1.356143 -0.310636
C 1.942934 -0.251853 0.041120
C 6.363628 -1.023882 0.234526
C 8.520861 0.070018 -0.008996
C 3.357604 -0.699041 0.148938
C 7.758476 -1.070700 0.249558
C 8.691053 2.511341 -0.581361
H -2.698885 1.224978 -1.470070
H -3.448802 -1.770561 1.539810
H -0.271618 0.713465 -1.380644
H -1.022121 -2.289194 1.633554
H -5.700744 -1.534540 -2.905605
H -4.156933 -0.671138 -2.756747
H -4.445775 -2.133636 -1.798866
H 1.187737 -2.189924 0.449984
H 5.993431 2.299627 -0.530479
H 1.754543 0.797755 -0.172118
H 3.954958 1.265858 -0.298290
H 5.777706 -1.925065 0.439444
H 9.605362 0.013715 0.005939
H -3.613702 1.218871 2.162622
H -5.077046 1.875017 2.783709
H 8.257115 -2.016013 0.467407
H 9.667077 2.494123 -0.077981
H 8.885320 2.596366 -1.661105
H 8.185435 3.433983 -0.268190
H -9.240596 0.601525 -0.944154
H -9.127615 1.475298 0.542320


%chk=000290821-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290821

0 1
O 3.695803 -1.562900 1.265419
N -6.764485 0.268696 -1.414708
N -6.957535 0.432364 1.017842
N 4.400256 0.222439 -0.102574
N -5.107749 0.262425 2.409127
N -8.824562 0.653852 -0.373813
C -3.298280 -0.195379 0.136145
C -4.760993 0.024762 -0.025175
C -5.415896 0.059092 -1.290228
C -2.344157 0.648265 -0.507113
C -2.795996 -1.252363 0.950077
C -0.460277 -0.606227 0.470208
C -5.610968 0.229166 1.125345
C -0.962945 0.449298 -0.347019
C -1.412000 -1.451947 1.110626
C -4.686573 -0.160792 -2.599696
C 0.967580 -0.861747 0.682659
C 5.815593 0.132205 -0.006013
C 7.989072 1.086016 -0.699129
C -7.469423 0.445736 -0.250595
C 6.578066 1.090883 -0.731594
C 2.030757 -0.172530 0.166261
C 6.479177 -0.855010 0.769177
C 8.644527 0.094396 0.079295
C 3.422287 -0.581552 0.502908
C 7.890614 -0.856905 0.798721
C 8.792371 2.116805 -1.474718
H -2.704766 1.478337 -1.124674
H -3.502083 -1.939295 1.430760
H -0.266656 1.126232 -0.854798
H -1.052235 -2.280791 1.732640
H -5.364716 -0.667333 -3.305246
H -4.405498 0.807158 -3.056746
H -3.768193 -0.755877 -2.472131
H 1.228255 -1.707452 1.336747
H 6.059255 1.852664 -1.330656
H 1.886668 0.689476 -0.499885
H 4.052330 0.980665 -0.694457
H 5.890924 -1.588121 1.322786
H 9.740238 0.072770 0.117594
H -4.111605 0.174366 2.590807
H -5.760548 0.442685 3.168684
H 8.405596 -1.617875 1.396041
H 9.416212 2.728897 -0.796568
H 9.476261 1.630995 -2.195519
H 8.139074 2.803325 -2.040571
H -9.235856 0.661137 -1.302828
H -9.386120 0.791185 0.461486


