%chk=000220469.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220469

0 1
S -0.000471 0.001426 2.211138
N -1.088708 0.344111 -0.251262
N 1.088262 -0.341418 -0.250933
C -2.500772 0.281418 0.224045
C 2.500248 -0.280291 0.224768
C -0.752329 0.183191 -1.704016
C 0.752240 -0.181107 -1.703812
C -3.354153 1.302642 -0.555183
C -3.077678 -1.144073 0.093565
C 3.352778 -1.302736 -0.553841
C 3.078767 1.144542 0.093999
C -0.000284 0.001302 0.543484
C -4.798842 1.269696 -0.037707
C -4.527296 -1.169877 0.594493
C 4.797331 -1.271194 -0.035871
C 4.528257 1.168922 0.595396
C -5.396627 -0.140542 -0.141141
C 5.396704 0.138360 -0.139586
H -2.487832 0.573920 1.314516
H 2.486650 -0.572395 1.315336
H -0.950657 1.140122 -2.228242
H -1.369783 -0.603436 -2.181384
H 0.950713 -1.138168 -2.227730
H 1.369780 0.605420 -2.181259
H -3.342629 1.084458 -1.638293
H -2.928375 2.317375 -0.436567
H -2.461775 -1.852090 0.683200
H -3.032522 -1.492161 -0.953619
H 3.341901 -1.084894 -1.637030
H 2.925872 -2.316972 -0.435048
H 2.463436 1.853437 0.683182
H 3.034332 1.492333 -0.953316
H -5.416945 1.986289 -0.610088
H -4.829287 1.614297 1.014836
H -4.548524 -0.969877 1.684433
H -4.949230 -2.184059 0.464629
H 5.414845 -1.988667 -0.607786
H 4.827033 -1.615465 1.016802
H 4.548910 0.969296 1.685416
H 4.951353 2.182594 0.465311
H -6.420649 -0.146361 0.276908
H -5.498512 -0.427719 -1.204921
H 6.420591 0.143192 0.278810
H 5.499278 0.425056 -1.203431


%chk=000220469-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220469

0 1
S -0.000475 0.000265 2.155690
N -1.106975 0.211523 -0.383182
N 1.106782 -0.210987 -0.382857
C -2.492540 0.240516 0.127278
C 2.492197 -0.240254 0.127986
C -0.775166 -0.034661 -1.806482
C 0.775405 0.035184 -1.806254
C -3.373498 1.237032 -0.661724
C -3.134107 -1.173109 0.159300
C 3.373111 -1.237112 -0.660635
C 3.134122 1.173211 0.159971
C -0.000200 0.000339 0.432385
C -4.798731 1.297719 -0.059725
C -4.562038 -1.111226 0.753286
C 4.798169 -1.298080 -0.058254
C 4.561882 1.111046 0.754334
C -5.451988 -0.104918 -0.014898
C 5.451776 0.104395 -0.013467
H -2.399932 0.593163 1.174642
H 2.399213 -0.592725 1.175375
H -1.224243 0.727414 -2.465209
H -1.135243 -1.033659 -2.129650
H 1.224670 -0.726904 -2.464840
H 1.135591 1.034175 -2.129322
H -3.450655 0.918373 -1.722685
H -2.901448 2.238157 -0.650247
H -2.493132 -1.844150 0.760834
H -3.182549 -1.585719 -0.870551
H 3.450626 -0.918633 -1.721624
H 2.900798 -2.238113 -0.649132
H 2.493166 1.844508 0.761240
H 3.182936 1.585658 -0.869927
H -5.425191 1.995290 -0.648562
H -4.743112 1.707584 0.969461
H -4.496524 -0.803716 1.816976
H -5.020396 -2.118895 0.740408
H 5.424603 -1.995902 -0.646823
H 4.742176 -1.707776 0.970979
H 4.496016 0.803712 1.818054
H 5.020502 2.118595 0.741424
H -6.452726 -0.043795 0.454865
H -5.605935 -0.469503 -1.052111
H 6.452375 0.043087 0.456569
H 5.606090 0.468784 -1.050694


