%chk=000252591.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252591

0 1
O 7.319769 0.351501 0.572401
N 5.480843 0.003551 -0.730280
C -2.563907 0.235018 -0.427340
C -1.333520 0.685850 0.371489
C -3.842405 0.319011 0.417472
C -0.054764 0.601500 -0.472932
C -5.073072 -0.131408 -0.381179
C 1.174873 1.052852 0.326576
C -6.351585 -0.047641 0.463649
C 2.454660 0.967996 -0.516646
C -7.582058 -0.497961 -0.334945
C 3.681099 1.422341 0.283712
C -8.861788 -0.414609 0.509052
C 4.976476 1.384974 -0.540851
C -10.089881 -0.861674 -0.280928
C 6.640718 -0.428856 -0.079199
C 6.981736 -1.868344 -0.286436
C 7.909948 -2.454955 0.467597
H -2.419507 -0.801424 -0.788570
H -2.672140 0.858367 -1.335859
H -1.226472 0.063099 1.280605
H -1.478793 1.722417 0.732438
H -3.987382 1.355366 0.778927
H -3.734948 -0.304298 1.326091
H 0.089242 -0.435120 -0.833655
H -0.163063 1.224746 -1.381607
H -5.181286 0.492111 -1.289553
H -4.928708 -1.167729 -0.742798
H 1.028976 2.089698 0.686930
H 1.281212 0.431240 1.236744
H -6.243773 -0.671136 1.372068
H -6.496334 0.988679 0.825193
H 2.596558 -0.069074 -0.874971
H 2.346434 1.590522 -1.426253
H -7.691471 0.124673 -1.243575
H -7.439100 -1.534109 -0.697132
H 3.525530 2.455544 0.654345
H 3.796303 0.800466 1.194020
H -8.754580 -1.038897 1.417644
H -9.007281 0.622243 0.870379
H 4.823222 1.843143 -1.543017
H 5.768204 1.987718 -0.028091
H -9.995025 -1.898926 -0.621666
H -10.247418 -0.238795 -1.168746
H -10.997742 -0.798589 0.329259
H 4.845858 -0.647834 -1.174201
H 6.452416 -2.395503 -1.078427
H 8.199621 -3.491912 0.357599
H 8.448905 -1.924432 1.250566


%chk=000252591-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252591

0 1
O 7.222130 0.031641 0.912358
N 5.538393 0.110184 -0.702766
C -2.531443 0.203805 -0.348657
C -1.317058 0.816382 0.384721
C -3.870569 0.425897 0.389935
C 0.018572 0.609418 -0.364560
C -5.080697 -0.207273 -0.333047
C 1.237388 1.193872 0.384147
C -6.422344 0.022302 0.398908
C 2.569465 1.013858 -0.378723
C -7.629837 -0.622918 -0.317942
C 3.788188 1.565516 0.394813
C -8.972601 -0.390024 0.411818
C 5.121348 1.486132 -0.386992
C -10.172578 -1.041430 -0.309236
C 6.565891 -0.532475 -0.019467
C 6.831846 -1.934866 -0.483015
C 7.806786 -2.688869 0.084225
H -2.365012 -0.885587 -0.484451
H -2.600272 0.636424 -1.368943
H -1.240599 0.372328 1.399393
H -1.488436 1.903090 0.534085
H -4.045211 1.515569 0.511907
H -3.797225 0.007085 1.415583
H 0.178770 -0.476382 -0.532998
H -0.051237 1.072893 -1.371198
H -5.149832 0.204877 -1.361726
H -4.908464 -1.298223 -0.447348
H 1.069016 2.274682 0.573374
H 1.319880 0.713790 1.381443
H -6.350665 -0.381932 1.430564
H -6.599526 1.113275 0.505192
H 2.718069 -0.066447 -0.588021
H 2.496879 1.521632 -1.364450
H -7.701448 -0.221860 -1.350851
H -7.455217 -1.714641 -0.420963
H 3.608067 2.630239 0.649006
H 3.903431 1.023768 1.353677
H -8.899140 -0.788609 1.444468
H -9.147500 0.700814 0.512211
H 5.036996 2.060802 -1.331112
H 5.937716 1.923438 0.213634
H -10.037795 -2.136601 -0.392513
H -10.284397 -0.639683 -1.334198
H -11.119796 -0.857783 0.230764
H 5.035032 -0.399865 -1.430193
H 6.214460 -2.336926 -1.299411
H 8.014328 -3.712822 -0.243692
H 8.410845 -2.267097 0.896148


