%chk=000213638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213638

0 1
O 5.326501 -1.806764 -0.757754
N -0.343769 -1.681149 -0.058708
N 3.292801 -0.880906 -0.293602
N -6.031226 -0.442319 0.937397
C 2.528672 -2.117909 -0.612719
C 1.496211 -1.840398 -1.722120
C 1.827612 -2.663147 0.646535
C 0.302470 -1.008249 -1.232470
C 0.625916 -1.810642 1.078805
C -1.572877 -0.940641 0.379910
C -2.724164 -1.240641 -0.601991
C -4.000793 -0.678438 -0.094874
C -4.456567 0.679249 -0.295834
C -4.967404 -1.337328 0.655168
C 4.682196 -0.833307 -0.401569
C -5.730063 0.802868 0.357161
C -3.920649 1.796593 -0.958791
C -5.014925 -2.731815 1.142649
C 5.295181 0.486541 -0.034911
C -6.458242 2.007316 0.354704
C -4.639549 2.981981 -0.959667
C -5.895040 3.084901 -0.309376
C 6.286754 0.514312 0.954297
C 4.915273 1.663576 -0.691776
C 6.885909 1.729280 1.299030
C 5.521719 2.874640 -0.346085
C 6.502846 2.908181 0.650829
H 3.267930 -2.885787 -0.981514
H 1.126786 -2.815430 -2.103273
H 1.978117 -1.336943 -2.580777
H 2.547542 -2.747039 1.482022
H 1.481643 -3.695651 0.431180
H 0.622924 0.032297 -1.011931
H -0.455281 -0.942335 -2.045360
H 0.100734 -2.321093 1.916449
H 0.971545 -0.829339 1.468017
H -1.422934 0.156359 0.464491
H -1.863838 -1.296657 1.392619
H -2.495038 -0.824716 -1.604861
H -2.803479 -2.338213 -0.755024
H 2.760321 -0.085698 0.039491
H -6.859321 -0.664291 1.451954
H -2.958880 1.718705 -1.459182
H -5.794110 -3.316669 0.630691
H -4.056981 -3.247214 0.960332
H -5.206155 -2.790713 2.223573
H -7.418430 2.081992 0.852306
H -4.243239 3.858354 -1.467571
H -6.421539 4.037699 -0.338917
H 6.593945 -0.412287 1.442191
H 4.161191 1.635527 -1.477566
H 7.656073 1.755236 2.068609
H 5.232556 3.791864 -0.856578
H 6.973027 3.853559 0.919089


%chk=000213638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213638

0 1
O 5.145362 -1.869603 0.361660
N -0.298437 -1.776299 -0.142276
N 3.268171 -0.854712 -0.551376
N -6.025525 -0.359762 0.964386
C 2.574729 -2.139997 -0.798966
C 1.486122 -1.957763 -1.879654
C 1.931668 -2.707284 0.494716
C 0.275064 -1.152766 -1.357115
C 0.719870 -1.868580 0.939667
C -1.539686 -1.104132 0.319656
C -2.766208 -1.394773 -0.587394
C -4.025260 -0.738129 -0.075592
C -4.379333 0.664221 -0.234854
C -5.052702 -1.336786 0.664280
C 4.532944 -0.809035 0.007883
C -5.641077 0.873024 0.426903
C -3.755444 1.764244 -0.881051
C -5.224946 -2.753765 1.133252
C 5.148883 0.558238 0.184483
C -6.280992 2.130564 0.459250
C -4.388567 3.023102 -0.854587
C -5.637453 3.205244 -0.190308
C 6.215211 0.676346 1.112135
C 4.735872 1.705136 -0.543777
C 6.842035 1.920920 1.327710
C 5.366875 2.950920 -0.331353
C 6.416773 3.063829 0.609389
H 3.350112 -2.846966 -1.145313
H 1.129426 -2.959499 -2.180764
H 1.911624 -1.465873 -2.775374
H 2.692757 -2.744937 1.293887
H 1.597585 -3.742561 0.291302
H 0.574013 -0.083503 -1.155692
H -0.496849 -1.113494 -2.145509
H 0.245119 -2.338119 1.820776
H 1.067226 -0.849888 1.258555
H -1.403221 0.003849 0.411561
H -1.767254 -1.478543 1.335425
H -2.562277 -1.037673 -1.615671
H -2.883109 -2.492041 -0.655373
H 2.752017 0.011658 -0.710665
H -6.882629 -0.536904 1.483855
H -2.796053 1.637800 -1.396600
H -6.197022 -3.177915 0.814705
H -4.430507 -3.394417 0.717412
H -5.172657 -2.835216 2.236804
H -7.241669 2.275184 0.966787
H -3.918306 3.879809 -1.350517
H -6.104984 4.196320 -0.185183
H 6.536357 -0.226551 1.641813
H 3.951942 1.633463 -1.307760
H 7.661394 2.001550 2.050474
H 5.048038 3.828352 -0.904866
H 6.904880 4.031011 0.773560


