%chk=000228574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228574

0 1
O -2.745884 0.119856 -0.181678
O 3.052770 -0.154713 -0.081924
O -1.898499 3.443115 0.051540
O 1.489515 2.906613 0.178912
O -0.808131 -0.413806 -1.260016
O 1.250772 -0.663572 1.222204
N -1.930455 -2.006549 0.056977
N 2.161317 -2.262506 -0.241925
C -1.117782 -2.557367 1.181869
C -2.579761 -2.218761 1.384649
C 2.706510 -2.462594 -1.618495
C 1.243781 -2.722922 -1.327981
C -1.702037 -0.718286 -0.497676
C 2.036964 -0.974676 0.352050
C -2.827442 1.403334 -0.881077
C 3.169048 1.169978 0.523253
C -2.943086 2.469943 0.207055
C 2.557051 2.183696 -0.445266
C -0.714744 3.242463 0.846253
C 0.218576 2.202735 0.224434
H -0.793357 -3.596183 1.053311
H -0.324994 -1.949465 1.649793
H -2.871272 -1.362170 1.999255
H -3.341089 -3.006773 1.405730
H 3.416031 -3.291632 -1.717007
H 3.006800 -1.601225 -2.223015
H 0.465584 -2.048178 -1.721671
H 0.865968 -3.744532 -1.212780
H -3.734235 1.307355 -1.501901
H -1.938683 1.560185 -1.525762
H 4.262229 1.274686 0.635677
H 2.677218 1.190698 1.514716
H -2.943258 2.020146 1.216091
H -3.855285 3.086023 0.078241
H 2.218449 1.696529 -1.378513
H 3.265650 2.998983 -0.691660
H -0.248862 4.253306 0.804753
H -0.985789 3.002547 1.885941
H -0.089491 1.924792 -0.801286
H 0.334401 1.289727 0.837331


%chk=000228574-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228574

0 1
O -2.878885 0.136231 0.096645
O 2.939333 0.011248 -0.104897
O -1.446140 2.603734 -1.132137
O 1.383128 2.406597 1.203387
O -1.712539 -1.594250 -1.006522
O 1.762836 -1.737964 0.956045
N -2.232490 -1.702173 1.283939
N 2.279531 -1.797336 -1.335396
C -1.179103 -2.417620 2.034841
C -1.915304 -1.202336 2.635589
C 1.971025 -1.259098 -2.674233
C 1.204676 -2.467742 -2.099046
C -2.202258 -1.102712 0.046153
C 2.256750 -1.225170 -0.084425
C -3.158821 0.793700 -1.207194
C 3.175289 0.656937 1.213479
C -2.876895 2.292480 -1.091174
C 2.822581 2.143549 1.135356
C -0.780067 2.615265 0.183864
C 0.699315 2.356660 -0.098914
H -1.455851 -3.420994 2.374702
H -0.140758 -2.284528 1.707925
H -1.358986 -0.260493 2.710355
H -2.687891 -1.354239 3.396060
H 2.737664 -1.414185 -3.440009
H 1.440233 -0.301327 -2.726381
H 0.171740 -2.310239 -1.765189
H 1.451376 -3.470521 -2.462589
H -4.228350 0.617370 -1.433628
H -2.532747 0.330849 -1.989825
H 4.250786 0.529708 1.442509
H 2.568018 0.145486 1.980762
H -3.355769 2.705711 -0.179632
H -3.313655 2.793793 -1.975000
H 3.267889 2.596920 0.224688
H 3.251450 2.643158 2.023920
H -0.915862 3.601443 0.672615
H -1.185174 1.826192 0.843823
H 1.104745 3.136873 -0.777273
H 0.823679 1.369823 -0.582791


