%chk=000219289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219289

0 1
O 2.493568 3.615261 2.047152
O -2.497148 -3.533296 2.211671
O -0.226494 1.548390 -1.910782
O 0.258208 -1.675470 -1.824481
N 0.992787 1.594394 0.679889
N -0.983517 -1.586434 0.754244
C -0.212963 0.747578 0.383980
C 0.224954 -0.755945 0.425142
C 1.398732 1.435660 2.120229
C 0.766942 3.050755 0.393793
C -1.402330 -1.352653 2.180597
C -0.755420 -3.055712 0.546823
C -0.847557 1.078274 -0.987859
C 0.871339 -1.157627 -0.922027
C 2.700415 2.220800 2.345113
C 2.069001 3.815936 0.683847
C -2.706215 -2.125204 2.434484
C -2.060314 -3.804883 0.864623
C -2.313026 0.786400 -1.067381
C 2.337516 -0.869983 -1.004020
C -3.241700 1.774381 -0.715862
C 3.262851 -1.838231 -0.593683
C -2.740057 -0.469044 -1.515865
C 2.768745 0.360498 -1.513501
C -4.608101 1.499222 -0.810194
C 4.630093 -1.568166 -0.690536
C -4.110065 -0.736659 -1.606923
C 4.139563 0.623192 -1.606674
C -5.041491 0.244399 -1.254999
C 5.067651 -0.338122 -1.196295
H -1.020437 0.897469 1.160657
H 1.025606 -0.864924 1.215576
H 1.575598 0.354369 2.322464
H 0.620426 1.787741 2.830521
H -0.068449 3.483645 0.982304
H 0.522087 3.172267 -0.687594
H -1.580690 -0.262309 2.324428
H -0.630540 -1.666950 2.915308
H 0.074421 -3.457032 1.164831
H -0.500680 -3.233634 -0.524404
H 3.525036 1.833557 1.719326
H 2.997824 2.242117 3.407770
H 1.926144 4.909727 0.636672
H 2.882824 3.502939 0.005037
H -3.525061 -1.771329 1.781923
H -3.013168 -2.091018 3.494086
H -1.917405 -4.899626 0.875971
H -2.867843 -3.527884 0.163034
H -2.904619 2.753337 -0.381184
H 2.922633 -2.798502 -0.211439
H -2.000273 -1.234989 -1.779655
H 2.031463 1.111588 -1.823053
H -5.335886 2.262771 -0.542689
H 5.355329 -2.316672 -0.377472
H -4.447874 -1.710813 -1.956365
H 4.480648 1.577900 -2.003408
H -6.107538 0.034279 -1.329642
H 6.134360 -0.132033 -1.272707


%chk=000219289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219289

0 1
O 2.012089 3.699585 2.839566
O -2.021352 -3.571474 3.015543
O 0.255561 1.703787 -1.695712
O -0.228544 -1.817011 -1.606675
N 0.814388 1.658397 1.103314
N -0.807263 -1.626186 1.182805
C -0.233968 0.766451 0.521882
C 0.245615 -0.766130 0.562923
C 0.996878 1.448981 2.569256
C 0.603200 3.121098 0.864652
C -1.000752 -1.339584 2.634040
C -0.597255 -3.099371 1.022532
C -0.610195 1.180778 -0.933017
C 0.631856 -1.255473 -0.865648
C 2.196565 2.264268 3.079974
C 1.801875 3.919302 1.398389
C -2.205103 -2.125401 3.178834
C -1.800740 -3.866739 1.589629
C -2.016647 0.974803 -1.399022
C 2.042504 -1.076832 -1.329994
C -2.922142 0.093666 -0.746654
C 2.941213 -0.156672 -0.723701
C -2.441030 1.683360 -2.557318
C 2.478171 -1.853939 -2.439066
C -4.234041 -0.058664 -1.242502
C 4.257682 -0.033417 -1.215458
C -3.755562 1.538609 -3.039239
C 3.797275 -1.737507 -2.916211
C -4.658377 0.669230 -2.378850
C 4.693286 -0.828653 -2.301340
H -1.173079 0.819831 1.119855
H 1.181188 -0.788778 1.168505
H 1.184941 0.382869 2.783588
H 0.082785 1.757496 3.136411
H -0.328845 3.475988 1.369461
H 0.518346 3.307709 -0.215441
H -1.189463 -0.263429 2.790157
H -0.091436 -1.617301 3.224341
H 0.331306 -3.428801 1.550460
H -0.507142 -3.342579 -0.045882
H 3.124022 1.912214 2.576228
H 2.306458 2.155462 4.171903
H 1.629134 5.002172 1.286778
H 2.716773 3.628088 0.838505
H -3.128886 -1.799482 2.651274
H -2.321955 -1.959017 4.262767
H -1.628577 -4.954168 1.536520
H -2.710958 -3.604907 1.008023
H -2.573729 -0.519029 0.094927
H 2.583922 0.506623 0.074874
H -1.720572 2.336578 -3.060751
H 1.763059 -2.537547 -2.908702
H -4.924753 -0.752172 -0.750017
H 4.943240 0.689595 -0.759538
H -4.079096 2.094836 -3.925812
H 4.129607 -2.346395 -3.764080
H -5.681878 0.554052 -2.753764
H 5.720306 -0.735468 -2.672721


