%chk=000212622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212622

0 1
O 3.235169 2.171541 0.134700
N -2.118058 -0.068203 -0.422189
N 1.512656 0.706504 -0.251905
N 1.981777 -1.636820 -0.029999
C -3.937598 0.563834 1.197338
C -3.061369 -1.237538 -0.416193
C -5.003629 0.290498 0.113398
C -3.668320 -0.740271 1.980757
C -4.434369 -0.714495 -0.907096
C -3.226864 -1.844847 1.001775
C -2.628991 1.008632 0.497253
C -0.711970 -0.468084 -0.102873
C 0.216301 0.419557 -0.974172
C 0.472011 -0.193510 -2.349243
C 2.171081 1.963570 -0.417875
C 2.196494 -0.361811 0.427825
C 1.492811 2.997733 -1.296673
C 3.033099 -0.103589 1.541464
C 1.903650 4.405717 -0.886340
C 3.654011 -1.175885 2.175577
C 2.595980 -2.663310 0.612261
C 3.439022 -2.480879 1.715930
H -4.284881 1.360454 1.887677
H -2.667657 -2.003601 -1.124455
H -5.126025 -1.560095 -1.054085
H -4.311064 -0.231394 -1.894081
H -2.282620 -2.305991 1.335951
H -3.970989 -2.658892 0.974501
H -2.822001 1.895684 -0.143588
H -1.875525 1.311195 1.250470
H -5.287373 1.231135 -0.389215
H -5.924351 -0.104124 0.576274
H -4.576065 -1.048943 2.527394
H -2.891683 -0.568758 2.746305
H -0.463243 -0.364627 0.974330
H -0.541908 -1.539615 -0.350204
H -0.293703 1.419960 -1.110916
H 0.987562 -1.163038 -2.272113
H -0.480754 -0.370610 -2.865447
H 1.089529 0.448414 -2.982822
H 0.382790 2.899975 -1.272015
H 1.788337 2.801986 -2.351002
H 3.208822 0.921574 1.878025
H 1.549619 5.150307 -1.607350
H 2.999536 4.494661 -0.817863
H 1.505040 4.673220 0.099972
H 4.306995 -0.996857 3.030731
H 2.394048 -3.660976 0.204730
H 3.915671 -3.328592 2.197578


%chk=000212622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212622

0 1
O 3.320012 2.249076 0.236097
N -2.093563 -0.252948 -0.207368
N 1.570164 0.724628 -0.149710
N 2.028437 -1.608647 -0.200486
C -4.169846 0.685101 0.789163
C -2.983540 -1.441113 -0.036533
C -4.915934 0.141130 -0.457461
C -4.202535 -0.383010 1.917068
C -4.257068 -1.212682 -0.887816
C -3.384468 -1.636813 1.456733
C -2.693724 0.970409 0.410274
C -0.670707 -0.461635 0.110887
C 0.212961 0.478268 -0.762912
C 0.290008 0.006641 -2.230311
C 2.154873 2.014749 -0.205001
C 2.312993 -0.395634 0.362422
C 1.323711 3.151971 -0.828003
C 3.274679 -0.258988 1.404914
C 2.143058 4.449899 -0.951669
C 3.951766 -1.411049 1.850427
C 2.689983 -2.710339 0.250649
C 3.667464 -2.668046 1.266282
H -4.640051 1.624357 1.137892
H -2.435536 -2.326375 -0.407584
H -4.953053 -2.060285 -0.737788
H -3.979984 -1.191540 -1.956489
H -2.469641 -1.758427 2.067675
H -3.974038 -2.566022 1.573052
H -2.639903 1.831308 -0.288993
H -2.130286 1.258742 1.332235
H -4.857477 0.881709 -1.277083
H -5.987981 0.003989 -0.220684
H -5.254004 -0.652961 2.132328
H -3.781809 0.041528 2.848471
H -0.440461 -0.259944 1.188770
H -0.399810 -1.508823 -0.098511
H -0.296438 1.454758 -0.738880
H 0.839859 -0.945217 -2.289663
H -0.738981 -0.135856 -2.606137
H 0.798787 0.750759 -2.870894
H 0.428811 3.334171 -0.198161
H 0.946792 2.847208 -1.822555
H 3.486516 0.719047 1.833585
H 1.518653 5.252765 -1.383846
H 3.023845 4.299167 -1.598301
H 2.516337 4.777240 0.032553
H 4.693425 -1.324265 2.651661
H 2.420275 -3.656181 -0.233900
H 4.178433 -3.581024 1.586103


