%chk=000269138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269138

0 1
O 7.283881 0.882978 -1.027670
O -6.622586 -1.311419 -0.638928
O -7.403551 0.311963 0.722207
N -3.165608 1.515920 0.905696
N 6.249358 0.119958 0.888675
C 1.172751 -1.647887 -1.131821
C 0.031168 -0.829892 -0.589539
C 2.505811 -1.170273 -0.620932
C -1.016333 -1.444709 0.110627
C 0.001528 0.559886 -0.795041
C -2.111140 0.695042 0.376449
C 3.460941 -0.641309 -1.500247
C 2.806534 -1.258501 0.747789
C -2.084643 -0.690840 0.599679
C -1.061123 1.325084 -0.319979
C 4.996152 -0.302579 0.338355
C 4.701607 -0.208463 -1.032119
C 4.040120 -0.830755 1.232851
C -4.533306 1.226471 0.859779
C -5.366796 2.217652 1.607873
C -5.043649 0.159997 0.180833
C 7.325069 0.689329 0.169990
C 8.512034 1.027475 1.030150
C -6.443789 -0.193124 0.165671
C -7.982813 -1.797738 -0.763179
H 1.048933 -2.723427 -0.877459
H 1.140348 -1.618720 -2.243843
H -1.003367 -2.521071 0.281483
H 0.820713 1.043013 -1.329740
H 3.241086 -0.564444 -2.565153
H 2.065208 -1.660410 1.438587
H -2.888962 -1.177363 1.153547
H -1.077726 2.398591 -0.496247
H 5.438865 0.201884 -1.731581
H 4.254238 -0.906847 2.295751
H -2.876155 2.422346 1.272515
H 6.352212 -0.011784 1.896200
H -4.995415 2.426144 2.618663
H -6.412140 1.848257 1.733661
H -5.459134 3.169626 1.066516
H -4.407467 -0.492816 -0.423457
H 8.275021 1.767134 1.805820
H 9.308907 1.466616 0.404924
H 8.944408 0.144647 1.518880
H -7.868460 -2.664242 -1.421337
H -8.365664 -2.077612 0.223155
H -8.610866 -1.021487 -1.211253


%chk=000269138-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269138

0 1
O 7.770286 0.478463 -0.997139
O -6.938222 -1.402887 -0.530086
O -7.641473 0.301558 0.903685
N -3.322051 1.451183 0.729548
N 6.419135 0.172645 0.900221
C 1.280961 -1.521032 -1.221274
C 0.070245 -0.755120 -0.691522
C 2.629694 -1.047087 -0.682612
C -1.063850 -1.435318 -0.185244
C 0.034062 0.663510 -0.712491
C -2.237348 0.674503 0.230367
C 3.712766 -0.775794 -1.552927
C 2.846342 -0.894124 0.711797
C -2.203730 -0.743366 0.276972
C -1.099519 1.368045 -0.268335
C 5.178166 -0.228414 0.322919
C 4.978005 -0.370329 -1.074804
C 4.098880 -0.493750 1.210150
C -4.689231 1.170927 0.814937
C -5.445578 2.200790 1.634046
C -5.281165 0.081575 0.198016
C 7.617742 0.495294 0.260089
C 8.760187 0.873132 1.202350
C -6.698673 -0.255996 0.269643
C -8.342609 -1.856578 -0.564948
H 1.146692 -2.595744 -0.984963
H 1.302576 -1.454285 -2.327452
H -1.057058 -2.531423 -0.138746
H 0.903472 1.218434 -1.083620
H 3.570433 -0.882562 -2.635680
H 2.023106 -1.085129 1.410089
H -3.040581 -1.302644 0.702156
H -1.112349 2.464617 -0.313815
H 5.803978 -0.162962 -1.757093
H 4.243247 -0.385289 2.293587
H -3.061071 2.388447 1.045181
H 6.425515 0.226229 1.921094
H -5.124142 2.162881 2.692382
H -6.526144 2.006491 1.592501
H -5.244717 3.222676 1.255845
H -4.691886 -0.580210 -0.439253
H 8.476593 0.897418 2.269183
H 9.146609 1.865514 0.914019
H 9.585657 0.151824 1.071638
H -8.334927 -2.747243 -1.210094
H -8.696675 -2.105568 0.450412
H -8.995148 -1.071000 -0.983928


