%chk=000218519.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218519

0 1
O 4.038588 -0.745539 -1.426067
N -3.008485 0.847097 -0.292162
C -0.759799 -0.187268 -0.369713
C -1.777625 0.596258 0.534272
C -1.161002 0.226244 -1.816223
C -1.230774 1.961445 0.982673
C -2.546684 0.896549 -1.719449
C -0.977170 -1.710064 -0.174186
C 0.699262 0.156440 -0.117016
C 0.085444 1.768651 1.738035
C 1.099289 1.065277 0.880004
C -0.565915 -2.204183 1.218853
C -4.045755 -0.203797 -0.076010
C 1.677567 -0.463302 -0.914516
C 2.465327 1.331835 1.085262
C -0.885018 -3.684564 1.409968
C 3.025850 -0.174182 -0.686729
C 3.445383 0.718493 0.312341
H -2.024840 -0.003770 1.443975
H -1.178372 -0.638209 -2.496697
H -0.422161 0.930527 -2.237925
H -1.980108 2.474290 1.614355
H -1.077849 2.622197 0.106763
H -2.483418 1.972491 -1.990696
H -3.274489 0.437331 -2.412051
H -0.413553 -2.270589 -0.943522
H -2.047554 -1.946180 -0.356544
H -0.081685 1.181545 2.665442
H 0.468307 2.753505 2.073093
H -1.078718 -1.604332 1.998462
H 0.518651 -2.029982 1.373059
H -4.915339 0.010079 -0.716636
H -4.393673 -0.148350 0.967954
H -3.703625 -1.233761 -0.276612
H 1.386589 -1.160310 -1.693343
H 2.764701 2.034277 1.863890
H -1.957272 -3.885829 1.310500
H -0.363832 -4.308455 0.674992
H -0.578025 -4.028433 2.404513
H 4.504180 0.912931 0.458464
H 3.691900 -1.364760 -2.111174


%chk=000218519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218519

0 1
O 4.147099 -0.343716 -1.653814
N -2.865576 0.921535 -0.597004
C -0.725380 -0.264858 -0.438545
C -1.810422 0.534768 0.388514
C -1.151302 0.010475 -1.923958
C -1.261198 1.774013 1.128614
C -2.680800 0.152678 -1.845031
C -0.866087 -1.805166 -0.155960
C 0.724548 0.159439 -0.157987
C -0.005253 1.400314 1.943633
C 1.080802 0.900724 1.003528
C -0.479661 -2.279717 1.263549
C -4.236151 0.975609 -0.076836
C 1.746590 -0.256814 -1.049293
C 2.446404 1.200311 1.238539
C -0.632376 -3.808229 1.423972
C 3.100965 0.049966 -0.793654
C 3.463204 0.779757 0.359934
H -2.236034 -0.153659 1.159024
H -0.839660 -0.798746 -2.608806
H -0.706767 0.958783 -2.274940
H -2.047867 2.191057 1.787099
H -1.009168 2.548920 0.381316
H -3.102335 0.703654 -2.707019
H -3.175444 -0.852576 -1.816883
H -0.230003 -2.348279 -0.885553
H -1.913182 -2.107622 -0.363526
H -0.269333 0.619624 2.688676
H 0.361369 2.271045 2.518148
H -1.111263 -1.770985 2.019334
H 0.565640 -1.986220 1.478244
H -4.913573 1.386307 -0.847837
H -4.285871 1.645289 0.800348
H -4.634120 -0.025746 0.231986
H 1.480994 -0.825515 -1.951309
H 2.717374 1.781391 2.128555
H -1.676515 -4.127911 1.243076
H 0.012533 -4.348754 0.705283
H -0.350271 -4.136163 2.441322
H 4.517015 1.011325 0.539467
H 3.789374 -0.834706 -2.434606


