%chk=000216502.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216502

0 1
O 1.045347 2.743060 1.606262
N 2.929208 0.421886 -0.310883
N 4.458217 -2.038502 -0.472167
N 0.271669 1.394144 -0.068811
C 3.073443 -0.484117 0.878354
C 4.148941 0.319820 -1.179668
C 3.237682 -1.937848 0.394867
C 4.306213 -1.136583 -1.661408
C 2.711806 1.834479 0.127186
C 4.670885 -3.449464 -0.911849
C 1.286437 2.019966 0.650868
C -1.128432 1.422650 0.432527
C -1.391451 0.110710 1.158111
C -2.119862 1.702763 -0.685041
C -1.669624 -1.065805 0.447948
C -3.473987 1.384214 -0.487278
C -1.309178 0.076921 2.557166
C -1.729119 2.328798 -1.876159
C -1.874884 -2.265005 1.135095
C -4.416728 1.671523 -1.476046
C -1.516267 -1.124723 3.240504
C -2.676596 2.612675 -2.865381
C -1.800077 -2.296235 2.531597
C -4.020187 2.283471 -2.670172
H 2.152181 -0.402688 1.495728
H 3.932247 -0.206509 1.528524
H 5.076955 0.641441 -0.657330
H 4.011806 0.984269 -2.058786
H 3.382051 -2.599990 1.275507
H 2.309749 -2.270299 -0.119142
H 3.446180 -1.412582 -2.309445
H 5.226012 -1.218587 -2.279118
H 3.416678 2.182220 0.917764
H 2.853828 2.522435 -0.737618
H 5.597194 -3.503448 -1.506390
H 3.852162 -3.882300 -1.504982
H 4.825988 -4.080996 -0.021902
H -1.211120 2.286049 1.166261
H 0.498902 0.677045 -0.760473
H -1.734722 -1.042105 -0.639440
H -3.793591 0.909780 0.440995
H -1.075621 0.986425 3.113230
H -0.688607 2.609248 -2.037692
H -2.095274 -3.176055 0.581645
H -5.463790 1.419846 -1.315353
H -1.454925 -1.146677 4.327472
H -2.363386 3.096787 -3.788910
H -1.962715 -3.230451 3.065370
H -4.755737 2.505645 -3.440240


%chk=000216502-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216502

0 1
O 0.955982 2.944784 1.878006
N 2.919824 0.551350 -0.116749
N 4.151280 -1.934694 -0.938518
N 0.379579 1.341953 0.266820
C 3.054138 -0.589680 0.831472
C 4.019982 0.534551 -1.116672
C 3.061299 -1.921025 0.064626
C 4.012474 -0.800302 -1.879905
C 2.744049 1.847738 0.577736
C 4.271302 -3.233106 -1.627696
C 1.275691 2.096386 0.988842
C -1.069168 1.344366 0.541989
C -1.427625 0.128303 1.415056
C -1.899332 1.479724 -0.743698
C -1.668566 -1.150456 0.850754
C -3.291818 1.203805 -0.720638
C -1.433264 0.267531 2.825478
C -1.324024 1.956113 -1.947343
C -1.911566 -2.267083 1.680735
C -4.084796 1.391589 -1.872958
C -1.679078 -0.847726 3.657938
C -2.115425 2.139300 -3.104780
C -1.918770 -2.119552 3.088005
C -3.499285 1.857011 -3.073782
H 2.200876 -0.571100 1.534239
H 3.996099 -0.503815 1.423794
H 5.016099 0.664506 -0.630059
H 3.867954 1.368602 -1.826857
H 3.221087 -2.751910 0.776636
H 2.057183 -2.068856 -0.413221
H 3.063427 -0.869347 -2.473270
H 4.860602 -0.821851 -2.589597
H 3.366820 1.950746 1.493414
H 3.036789 2.668603 -0.104526
H 5.138110 -3.212087 -2.312450
H 3.364241 -3.504162 -2.225814
H 4.442440 -4.033299 -0.885478
H -1.234495 2.253849 1.155449
H 0.819109 0.643554 -0.354241
H -1.681039 -1.268852 -0.239489
H -3.754839 0.839621 0.203618
H -1.231305 1.251104 3.266604
H -0.255775 2.196636 -1.972277
H -2.099883 -3.249470 1.232514
H -5.158457 1.175070 -1.834454
H -1.684512 -0.724339 4.746774
H -1.651733 2.507756 -4.027135
H -2.111919 -2.985003 3.731975
H -4.113867 2.000463 -3.969570


