%chk=000218366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218366

0 1
O -2.850431 -4.341523 -0.041607
N -0.022093 0.013878 -0.003026
N 2.837232 0.407167 0.004410
N -4.228793 1.034208 -0.002045
C -1.873927 1.719055 0.006930
C -1.422018 0.423601 -0.002274
C 0.691662 0.489788 -1.234097
C 0.687773 0.471865 1.237078
C -1.120862 3.014401 0.017944
C -2.193920 4.132434 0.025592
C -3.303806 1.975797 0.006717
C -3.582800 3.453985 0.017813
C 2.130737 -0.061257 -1.228978
C 2.126761 -0.079325 1.228491
C -2.403277 -0.645462 -0.012126
C -3.782988 -0.291128 -0.011634
C 4.261493 0.353651 0.006294
C -2.040387 -2.020956 -0.022186
C -4.787299 -1.316588 -0.021243
C -3.034580 -2.975750 -0.031210
C -4.427130 -2.636292 -0.030877
C 4.983633 0.399244 -1.209431
C 4.979790 0.380933 1.224815
C 6.374794 0.477400 -1.195582
C 6.371008 0.459266 1.216523
C 7.079328 0.504663 0.011866
C -1.488798 -4.834820 -0.042251
H 0.712496 1.599595 -1.321735
H 0.145800 0.096383 -2.119742
H 0.139047 0.065857 2.115212
H 0.708475 1.580314 1.340754
H -0.460746 3.085158 0.904662
H -0.458966 3.099084 -0.866200
H -2.079382 4.774819 0.914533
H -2.076644 4.789576 -0.852125
H -4.182357 3.749161 -0.864049
H -4.185473 3.735324 0.902080
H 2.114005 -1.172333 -1.292501
H 2.666445 0.315135 -2.130578
H 2.659636 0.283544 2.137274
H 2.109664 -1.191222 1.275502
H -0.981470 -2.274551 -0.022410
H -5.835676 -1.008458 -0.020580
H -5.158434 -3.443142 -0.038337
H 4.457711 0.389390 -2.161935
H 4.450910 0.356754 2.175422
H 6.918313 0.516224 -2.139624
H 6.911519 0.483880 2.162767
H 8.163298 0.562363 0.013987
H -0.969831 -4.517484 0.866860
H -0.966163 -4.504587 -0.944647
H -1.643480 -5.921320 -0.050290


%chk=000218366-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218366

0 1
O -2.077498 -4.186649 -0.467626
N -0.047184 0.633166 0.032407
N 2.805600 0.275169 -0.028768
N -4.375038 0.922432 0.087612
C -2.144045 1.976061 0.273715
C -1.465153 0.762343 0.068026
C 0.622533 0.239952 -1.228405
C 0.822280 1.475829 0.871550
C -1.625018 3.401821 0.424246
C -2.882348 4.285647 0.136339
C -3.583713 1.986187 0.290024
C -4.102645 3.397202 0.512801
C 1.928268 -0.514570 -0.924539
C 2.125017 0.718231 1.204655
C -2.281703 -0.434359 -0.093625
C -3.722883 -0.292838 -0.106635
C 4.198035 -0.011956 0.010893
C -1.709667 -1.742914 -0.197110
C -4.530519 -1.460963 -0.300628
C -2.534306 -2.862226 -0.368459
C -3.956827 -2.720755 -0.440454
C 4.917289 -0.293208 -1.191249
C 4.934841 0.009100 1.233469
C 6.303849 -0.537800 -1.165860
C 6.326830 -0.226402 1.244632
C 7.027074 -0.504687 0.050500
C -0.633536 -4.408090 -0.383171
H 0.860217 1.144375 -1.835017
H -0.051826 -0.399136 -1.821405
H 0.297054 1.716376 1.811351
H 1.097613 2.428877 0.365029
H -1.252484 3.586040 1.452614
H -0.793234 3.634114 -0.263906
H -2.857503 5.239445 0.691015
H -2.922133 4.524997 -0.942461
H -5.003854 3.604146 -0.087895
H -4.381703 3.529446 1.577772
H 1.676776 -1.493464 -0.449229
H 2.450417 -0.727328 -1.869969
H 2.789741 1.409357 1.751667
H 1.886528 -0.141878 1.873888
H -0.627333 -1.845942 -0.086169
H -5.615446 -1.321507 -0.321602
H -4.562905 -3.620637 -0.581377
H 4.400221 -0.288600 -2.156387
H 4.425895 0.185272 2.185491
H 6.826141 -0.741845 -2.107941
H 6.862332 -0.204683 2.201101
H 8.105798 -0.691148 0.064320
H -0.232387 -4.079002 0.595527
H -0.097446 -3.881038 -1.197555
H -0.500212 -5.494260 -0.492995


