%chk=000213592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213592

0 1
O -2.213444 1.527137 -0.754550
O -0.244123 3.036088 -0.039370
O 2.586539 3.143115 0.463945
N -2.291043 -0.611187 -0.039756
C -4.282198 -1.537428 0.970638
C -3.083028 -2.416243 1.372712
C -3.783377 -0.605143 -0.143791
C -1.817330 -1.730717 0.823395
C -1.580416 0.538933 -0.336681
C -0.102586 0.609359 -0.190895
C 0.734355 -0.520567 -0.270564
C 0.471407 1.881368 -0.014172
C 2.109614 -0.405985 -0.089103
C 1.880379 1.993028 0.206845
C 2.682635 0.854038 0.172534
C 2.986053 -1.626874 -0.175737
C 2.779803 -2.536560 1.002146
C 1.869799 4.405518 0.458927
C 2.695846 -3.861364 0.903655
H -5.133758 -2.149843 0.629830
H -4.644282 -0.953266 1.836142
H -3.027379 -2.535689 2.468094
H -3.187257 -3.432554 0.952588
H -4.065733 -0.973638 -1.153126
H -4.178149 0.431214 -0.049877
H -1.169580 -1.348749 1.641411
H -1.207859 -2.431416 0.210419
H 0.303969 -1.496878 -0.497449
H 3.754999 0.960208 0.337838
H 2.796151 -2.155209 -1.135425
H 4.061410 -1.342021 -0.220637
H -1.211284 2.876617 -0.398414
H 2.714755 -2.023481 1.964317
H 1.098433 4.403501 1.236316
H 1.427884 4.583535 -0.526955
H 2.673132 5.116194 0.681467
H 2.566902 -4.509883 1.757869
H 2.755562 -4.403657 -0.028185


%chk=000213592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213592

0 1
O -2.263072 1.716376 0.515096
O -0.360498 3.048196 -0.313181
O 2.463448 3.199473 -0.897093
N -2.300699 -0.569421 0.556225
C -4.243024 -1.939491 0.845357
C -3.248415 -2.656307 -0.101263
C -3.773489 -0.469406 0.806384
C -1.902028 -1.965074 0.217043
C -1.584280 0.596389 0.443726
C -0.109919 0.655261 0.235471
C 0.773933 -0.444804 0.427469
C 0.434434 1.931633 -0.163901
C 2.155886 -0.333895 0.183603
C 1.840354 2.039714 -0.415006
C 2.669393 0.915086 -0.246815
C 3.088072 -1.536400 0.356543
C 2.754445 -2.407205 1.552894
C 2.127118 4.504583 -0.284843
C 2.481906 -3.735829 1.499613
H -5.292638 -2.043553 0.524499
H -4.156134 -2.346619 1.869619
H -3.200628 -3.745914 0.061985
H -3.527699 -2.476103 -1.155595
H -4.246077 0.103259 -0.013643
H -3.960913 0.087555 1.739490
H -1.412570 -2.456777 1.080938
H -1.200587 -1.975802 -0.633642
H 0.398184 -1.397233 0.805173
H 3.739012 1.046913 -0.445121
H 3.073909 -2.161281 -0.559396
H 4.126853 -1.162750 0.460836
H -1.314106 2.757815 0.032540
H 2.743670 -1.892587 2.526237
H 2.368573 4.493690 0.795882
H 1.063051 4.744228 -0.427896
H 2.774356 5.227274 -0.805087
H 2.267259 -4.316188 2.404137
H 2.479722 -4.283304 0.548123


