%chk=000182581.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182581

0 1
O -3.042335 -3.141488 -0.283152
N 5.310109 -1.156742 -0.151904
N -2.852454 2.354048 0.033254
C 2.866282 0.470161 0.030707
C 3.026656 -0.861738 0.790055
C 3.729397 0.424047 -1.246940
C 1.394411 0.740261 -0.331427
C 4.504528 -1.138604 1.108641
C 5.199311 0.129995 -0.907136
C 0.542170 1.081990 0.902031
C -0.875765 1.317891 0.525957
C -1.846828 0.299551 0.210819
C -1.511966 2.549137 0.407864
C -3.080435 0.971897 -0.094339
C -1.792937 -1.107091 0.157301
C -4.253185 0.269702 -0.448036
C -2.960135 -1.766695 -0.193554
C -4.188337 -1.106554 -0.496597
H 3.235436 1.300367 0.680030
H 2.623864 -1.691240 0.175517
H 2.437897 -0.849075 1.724263
H 3.657940 1.376974 -1.799879
H 3.347421 -0.363647 -1.926857
H 0.959525 -0.134057 -0.853951
H 1.332870 1.573712 -1.057974
H 4.875323 -0.396865 1.848535
H 4.604811 -2.143183 1.575453
H 5.782654 0.008910 -1.846535
H 5.637942 0.991923 -0.359510
H 0.961131 1.970243 1.416872
H 0.597585 0.254982 1.642061
H 6.295409 -1.323370 0.082657
H -1.108505 3.533969 0.563155
H -3.529999 3.072675 -0.116745
H -0.869808 -1.627028 0.382819
H -5.173055 0.801993 -0.673587
H -5.049685 -1.716956 -0.761213
H -2.180642 -3.575095 -0.076054


%chk=000182581-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182581

0 1
O -3.027538 -3.201399 -0.401683
N 5.305546 -1.195078 -0.138334
N -2.925284 2.361626 0.106285
C 2.898726 0.475537 0.020693
C 3.085574 -0.806273 0.876135
C 3.753485 0.360197 -1.268611
C 1.414206 0.754183 -0.322970
C 4.578787 -1.090178 1.145139
C 5.228983 0.044239 -0.943376
C 0.530578 1.117713 0.904546
C -0.919860 1.344553 0.552473
C -1.893151 0.324689 0.196434
C -1.590665 2.567679 0.486655
C -3.140057 0.988746 -0.078002
C -1.825740 -1.092388 0.095075
C -4.303256 0.278041 -0.448825
C -2.990202 -1.792876 -0.274049
C -4.218386 -1.122395 -0.546496
H 3.287566 1.337553 0.610336
H 2.654394 -1.669514 0.330140
H 2.555133 -0.716023 1.843474
H 3.693628 1.302195 -1.849104
H 3.348525 -0.452775 -1.903304
H 0.986809 -0.131292 -0.835973
H 1.356487 1.588741 -1.050893
H 4.981104 -0.272150 1.799303
H 4.692050 -2.042179 1.696637
H 5.803148 -0.102522 -1.877140
H 5.670738 0.927080 -0.410327
H 0.948163 2.024914 1.384498
H 0.601236 0.306862 1.657104
H 6.270043 -1.529477 -0.019809
H -1.212458 3.569059 0.686471
H -3.626818 3.089037 -0.005943
H -0.889143 -1.625639 0.303912
H -5.250017 0.788731 -0.656278
H -5.085861 -1.725326 -0.829779
H -2.139872 -3.588892 -0.201812


