%chk=000218238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218238

0 1
O 2.950707 -0.597738 -0.486230
N -4.734174 0.583922 0.106193
N -3.017085 1.024505 1.513723
C 6.518546 -0.158695 0.506503
C 7.798442 -0.716765 -0.130051
C 5.274408 -0.615887 -0.261698
C -6.104000 0.445291 -0.416871
C -6.714399 -0.906244 -0.009836
C 9.049717 -0.262854 0.634846
C 4.002824 -0.058673 0.374651
C -8.140848 -1.051144 -0.553912
C -2.508435 0.424931 0.350688
C -3.566308 0.141521 -0.529569
C -1.082819 0.177146 0.164609
C 10.326214 -0.815640 0.005125
C -4.357463 1.105146 1.356426
C 1.645588 -0.285865 -0.187864
C -8.755741 -2.389798 -0.154436
C -0.630669 -0.633518 -0.897809
C -0.144445 0.742997 1.045067
C 0.725330 -0.869644 -1.083762
C 1.224166 0.519204 0.878067
H 6.452861 -0.484415 1.563171
H 6.563954 0.947763 0.530990
H 7.867314 -0.393963 -1.186961
H 7.756303 -1.822887 -0.157356
H 5.217069 -1.723080 -0.295216
H 5.327649 -0.297486 -1.322829
H -6.084891 0.545835 -1.526741
H -6.726438 1.286338 -0.033472
H -6.078373 -1.736284 -0.378056
H -6.714045 -1.007822 1.093867
H 8.984034 -0.587732 1.691787
H 9.095170 0.843598 0.660634
H 3.953395 1.042346 0.342441
H 3.839761 -0.426351 1.401322
H -8.776428 -0.223774 -0.180295
H -8.137893 -0.958117 -1.658225
H -3.556785 -0.304408 -1.502335
H 11.214210 -0.487442 0.556985
H 10.442868 -0.481233 -1.032096
H 10.331507 -1.911632 -0.002152
H -5.052493 1.516126 2.070428
H -9.775222 -2.489709 -0.545182
H -8.811316 -2.502718 0.934811
H -8.174136 -3.235488 -0.540243
H -1.349628 -1.084959 -1.580647
H -0.493671 1.365918 1.874190
H 1.092016 -1.490936 -1.896473
H 1.929055 0.966411 1.569397


%chk=000218238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218238

0 1
O 2.974236 -0.705554 -0.711395
N -4.786000 0.633018 0.144423
N -2.966223 1.215176 1.365927
C 6.559491 -0.197608 0.490724
C 7.921535 -0.687172 -0.050800
C 5.366758 -0.679214 -0.366611
C -6.196518 0.484835 -0.256324
C -6.777619 -0.916201 0.043764
C 9.121799 -0.212394 0.799493
C 4.025760 -0.189753 0.184057
C -8.259326 -1.026444 -0.380112
C -2.548085 0.451698 0.251091
C -3.673276 0.085929 -0.506927
C -1.126654 0.155320 0.013090
C 10.478927 -0.703605 0.251032
C -4.304068 1.300355 1.268517
C 1.640963 -0.381213 -0.409084
C -8.853745 -2.422793 -0.096877
C -0.693148 -0.632422 -1.091406
C -0.141335 0.663216 0.897861
C 0.669332 -0.899009 -1.303138
C 1.230809 0.403843 0.698038
H 6.434424 -0.551781 1.535616
H 6.563130 0.911793 0.535303
H 8.050380 -0.333275 -1.094950
H 7.921104 -1.796188 -0.096432
H 5.353215 -1.785332 -0.409148
H 5.478402 -0.319241 -1.407467
H -6.284725 0.706456 -1.337177
H -6.778439 1.255600 0.282607
H -6.179803 -1.684310 -0.485222
H -6.677387 -1.127440 1.126292
H 8.992551 -0.567167 1.842503
H 9.119740 0.895948 0.845702
H 3.985966 0.919951 0.205295
H 3.856527 -0.568944 1.214195
H -8.853386 -0.256467 0.153456
H -8.351369 -0.797375 -1.461731
H -3.774994 -0.485103 -1.425769
H 11.320208 -0.351913 0.876200
H 10.646450 -0.335861 -0.779037
H 10.518153 -1.808997 0.222025
H -4.958572 1.823558 1.962353
H -9.912152 -2.480349 -0.409478
H -8.806140 -2.663585 0.981472
H -8.297286 -3.208997 -0.640648
H -1.427749 -1.043206 -1.793983
H -0.474949 1.268214 1.746882
H 1.007384 -1.503796 -2.150402
H 1.961110 0.813896 1.401807


