%chk=000270937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270937

0 1
O 0.943829 -3.712999 -0.919915
O -1.326653 -3.398522 -0.940375
N 3.576125 -0.475475 -0.020952
N 0.211112 2.935750 1.019647
N -1.769391 -0.451118 -0.651668
N -2.445473 3.151175 0.056539
N -3.722328 0.845450 -1.027221
N 0.234472 -1.716485 -0.274000
C 2.646425 2.626939 0.508558
C 3.806001 1.770348 1.037499
C 1.585956 2.888445 1.604000
C 4.361262 0.806460 -0.030085
C 1.843861 4.201922 2.344857
C 3.513429 -1.099258 -1.387608
C 4.161435 -1.440022 0.975003
C -0.417767 1.830952 0.497778
C 2.683748 -0.239953 -2.340591
C 3.135196 -2.503886 1.363067
C -1.782401 1.942937 -0.002733
C 0.196905 0.579746 0.410000
C -2.408086 0.763733 -0.552128
C -0.500596 -0.508652 -0.174537
C -4.342574 2.020606 -0.953859
C -3.687143 3.196554 -0.402929
C -5.743330 2.120861 -1.452154
C -0.227708 -2.960814 -0.743065
C 0.762476 -5.120520 -1.268052
C 0.349406 -5.909641 -0.043504
H 2.174412 2.110177 -0.356346
H 3.025022 3.578339 0.095302
H 4.621072 2.425461 1.397649
H 3.478074 1.185536 1.922257
H 1.604880 2.038660 2.344699
H 4.292783 1.282970 -1.032708
H 5.445814 0.640614 0.146175
H -0.272064 3.835120 1.003685
H 2.844930 4.197027 2.795163
H 1.124209 4.362575 3.157629
H 1.796197 5.075306 1.683020
H 4.519592 -1.286199 -1.820550
H 3.027249 -2.099748 -1.280282
H 4.452208 -0.871623 1.886642
H 5.087998 -1.927512 0.599888
H 2.402814 -0.808423 -3.234612
H 3.224120 0.653923 -2.670282
H 1.752994 0.104319 -1.866419
H 3.561403 -3.216939 2.076905
H 2.780999 -3.083427 0.495893
H 2.252006 -2.053884 1.835430
H 1.221378 0.426663 0.760305
H -4.219151 4.150542 -0.359035
H 1.256822 -1.634797 -0.087893
H -6.433119 2.421916 -0.650703
H -5.828192 2.852415 -2.268172
H -6.106875 1.153418 -1.844851
H 0.021773 -5.186911 -2.086097
H 1.775160 -5.372671 -1.631767
H -0.667637 -5.635009 0.279478
H 1.018199 -5.722205 0.805357
H 0.348142 -6.987767 -0.241033


%chk=000270937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270937

0 1
O 0.744698 -3.903910 -0.950101
O -1.510790 -3.386607 -1.435326
N 3.794849 -0.273462 0.032474
N 0.209423 2.812803 0.941402
N -1.936980 -0.505222 -0.708480
N -2.426790 3.095812 0.174986
N -3.850713 0.865007 -0.922132
N 0.038169 -1.827210 -0.480351
C 2.646590 2.649918 0.335443
C 4.019573 2.123189 0.837893
C 1.585438 2.777477 1.468367
C 4.587578 0.993283 -0.054576
C 1.823972 4.016868 2.351706
C 3.903261 -1.089859 -1.218170
C 4.198695 -1.065299 1.236240
C -0.433714 1.721776 0.415307
C 3.139399 -0.492369 -2.414593
C 3.140034 -2.084989 1.696906
C -1.823193 1.869826 0.012493
C 0.147081 0.452824 0.237588
C -2.522540 0.730587 -0.537929
C -0.646770 -0.600346 -0.324584
C -4.436457 2.075854 -0.759920
C -3.716343 3.193644 -0.207990
C -5.882650 2.220213 -1.178033
C -0.397307 -3.045028 -0.999324
C 0.496690 -5.303548 -1.389966
C -0.039984 -6.155718 -0.235627
H 2.260908 1.948583 -0.425068
H 2.757313 3.633256 -0.161943
H 4.763988 2.942192 0.880896
H 3.921203 1.746520 1.877095
H 1.674262 1.867855 2.103339
H 4.575976 1.340051 -1.103478
H 5.658579 0.806343 0.207393
H -0.356975 3.665213 1.007812
H 2.849368 4.005445 2.759782
H 1.116932 4.050737 3.200212
H 1.707828 4.945522 1.760537
H 4.976421 -1.248335 -1.495668
H 3.486480 -2.091481 -1.004523
H 4.378833 -0.351509 2.061364
H 5.171422 -1.588612 1.054164
H 3.198207 -1.178705 -3.279115
H 3.553121 0.480533 -2.735253
H 2.074273 -0.343834 -2.164977
H 3.501186 -2.628770 2.589411
H 2.914766 -2.843109 0.924389
H 2.199518 -1.573013 1.971368
H 1.200151 0.263622 0.471174
H -4.204893 4.165808 -0.082286
H 1.015694 -1.831640 -0.177993
H -6.521435 2.505825 -0.321207
H -6.001501 3.002615 -1.950851
H -6.240457 1.261763 -1.583445
H -0.215356 -5.285523 -2.234129
H 1.484069 -5.649921 -1.736903
H -1.033241 -5.796580 0.082492
H 0.645809 -6.126031 0.629176
H -0.142272 -7.207936 -0.561175


