%chk=000233506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233506

0 1
O 0.621474 -2.184239 -0.138707
O 1.069023 2.219182 1.616210
O -1.116822 2.866659 -0.044069
N 3.112746 -1.125824 0.107832
C 3.842680 -0.559489 -1.066183
C 4.604223 -1.193276 0.078428
C 2.471646 -0.182760 1.065522
C 1.038735 0.045288 0.669065
C 0.228798 -0.931293 0.164548
C 0.517341 1.388366 0.934660
C -1.218004 -0.732547 -0.085516
C -1.743747 0.574440 -0.019490
C -0.841341 1.732695 0.253794
C -2.061597 -1.810244 -0.374420
C -3.106256 0.790052 -0.242244
C -3.428182 -1.587419 -0.587026
C -3.949477 -0.293947 -0.519882
H 3.887804 0.519808 -1.228405
H 3.707087 -1.096651 -2.009340
H 5.026150 -2.197664 -0.023224
H 5.207256 -0.575408 0.746658
H 2.507216 -0.659596 2.075882
H 2.997378 0.796568 1.168874
H -1.646796 -2.820238 -0.433611
H -3.503461 1.808547 -0.202240
H -4.084146 -2.430437 -0.807634
H -5.013306 -0.122725 -0.687000
H 1.652379 -2.306151 -0.052481


%chk=000233506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233506

0 1
O 0.775295 -2.080541 -0.061841
O 1.208750 2.517797 1.263420
O -1.525808 2.907744 0.702860
N 3.045107 -1.134356 0.121142
C 3.892530 -0.812068 -1.081916
C 4.513699 -1.442304 0.154554
C 2.506849 -0.008885 0.959090
C 1.040681 0.215037 0.624985
C 0.245234 -0.846380 0.169739
C 0.497084 1.543276 0.843918
C -1.201271 -0.686028 -0.086740
C -1.818563 0.585711 0.104435
C -1.013401 1.763820 0.554867
C -1.979352 -1.785982 -0.518119
C -3.204554 0.737317 -0.138892
C -3.362305 -1.624864 -0.755082
C -3.977311 -0.363188 -0.566403
H 4.086359 0.248428 -1.274010
H 3.700382 -1.425343 -1.966725
H 4.773008 -2.504462 0.155348
H 5.130315 -0.806399 0.799693
H 2.622457 -0.314230 2.018377
H 3.075419 0.931114 0.822226
H -1.486411 -2.751761 -0.659573
H -3.650515 1.725729 0.013257
H -3.960835 -2.480335 -1.086337
H -5.049572 -0.241854 -0.752665
H 1.895532 -1.935296 0.000395


