%chk=000216752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216752

0 1
O -5.459554 0.946662 0.591326
N -1.128740 -0.547449 0.931846
N -3.276346 1.144963 -0.025627
C -2.266269 -0.187978 1.843674
C -1.614763 -0.663993 -0.481959
C -2.859096 1.168041 1.405199
C -2.172258 0.708683 -0.916654
C -0.464365 -1.811719 1.396403
C 0.718010 -2.155213 0.519124
C 1.878632 -1.359343 0.461152
C -4.636691 0.891442 -0.309706
C 2.043331 -0.103925 1.278993
C 0.644816 -3.328445 -0.251360
C 2.940859 -1.759039 -0.370011
C -5.026722 0.679023 -1.745335
C 1.705871 -3.715517 -1.069588
C 2.372412 1.092090 0.423019
C 2.858256 -2.924919 -1.130016
C 1.349011 1.764039 -0.263707
C 3.694663 1.549401 0.316507
C 1.648032 2.877534 -1.050975
C 3.987826 2.665129 -0.473178
C 2.967529 3.330726 -1.158761
H -1.869718 -0.093475 2.877227
H -3.066533 -0.958671 1.871685
H -2.378055 -1.457354 -0.619393
H -0.747446 -0.931035 -1.127839
H -3.737247 1.425704 2.043510
H -2.104903 1.977627 1.525749
H -1.355476 1.473852 -0.844083
H -2.494297 0.682572 -1.975481
H -1.169219 -2.672035 1.452087
H -0.109968 -1.638686 2.440218
H 2.832308 -0.273021 2.043068
H 1.120439 0.120806 1.861741
H -0.250797 -3.946725 -0.209742
H 3.837588 -1.141275 -0.425505
H -4.650093 -0.270770 -2.143205
H -4.677513 1.490691 -2.397053
H -6.126425 0.651853 -1.828142
H 1.637340 -4.627594 -1.658369
H 3.688968 -3.218763 -1.769092
H 0.316390 1.411003 -0.174978
H 4.494423 1.040101 0.849016
H 0.852151 3.397280 -1.580974
H 5.015003 3.016535 -0.552670
H 3.197734 4.198587 -1.771942


%chk=000216752-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216752

0 1
O -5.550687 1.577476 0.780722
N -1.199196 -0.718962 0.870511
N -3.454244 0.871731 0.062903
C -2.209964 -0.279131 1.868315
C -1.822698 -0.920042 -0.459358
C -2.875448 1.032333 1.413251
C -2.490048 0.385844 -0.940950
C -0.429343 -1.907504 1.335317
C 0.775044 -2.225608 0.454747
C 1.898088 -1.349986 0.360585
C -4.795396 1.177181 -0.161394
C 1.988391 -0.052051 1.170399
C 0.779487 -3.437638 -0.282345
C 2.982448 -1.718614 -0.476482
C -5.327093 1.013954 -1.587195
C 1.867565 -3.797224 -1.106793
C 2.462227 1.160741 0.372888
C 2.977028 -2.927496 -1.204275
C 1.738920 1.591788 -0.770464
C 3.606463 1.898570 0.765310
C 2.146909 2.728784 -1.499289
C 4.020042 3.039720 0.037758
C 3.291099 3.459330 -1.097581
H -1.700947 -0.112750 2.836314
H -3.000095 -1.056250 2.024599
H -2.593442 -1.733660 -0.428672
H -1.040850 -1.221861 -1.178783
H -3.692182 1.325924 2.092406
H -2.113522 1.837279 1.389849
H -1.701527 1.152502 -1.092025
H -2.993471 0.212115 -1.904120
H -1.081630 -2.814892 1.391787
H -0.101902 -1.690187 2.370864
H 2.680271 -0.210264 2.021990
H 0.992314 0.174537 1.588970
H -0.086912 -4.106835 -0.203827
H 3.839001 -1.038883 -0.558186
H -5.270655 -0.034868 -1.931995
H -4.776165 1.643409 -2.309611
H -6.381994 1.324453 -1.580197
H 1.848707 -4.739244 -1.665956
H 3.829479 -3.188454 -1.841630
H 0.854902 1.024003 -1.084372
H 4.176351 1.579151 1.647288
H 1.576317 3.048716 -2.379061
H 4.907931 3.597708 0.356687
H 3.609524 4.342558 -1.662703


