%chk=000230906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230906

0 1
O -1.061261 3.288499 0.826622
O 0.839206 3.240640 -0.686429
C -1.428813 -0.297189 -0.047509
C 1.443492 -0.306300 0.038027
C -0.720333 0.955394 0.094829
C 0.731363 0.943522 -0.088663
C -0.724575 -1.549755 -0.076319
C 0.732506 -1.554605 0.125672
C -2.845974 -0.319029 -0.123769
C 2.862870 -0.330070 0.042269
C -1.495185 2.074879 0.395800
C 1.503456 2.050105 -0.425398
C -1.424778 -2.728191 -0.281901
C 1.433034 -2.724676 0.357965
C -3.584572 0.901174 0.045781
C 3.594382 0.872194 -0.219284
C -3.532571 -1.548067 -0.339132
C 3.552816 -1.558359 0.280723
C -2.932725 2.061449 0.333028
C 2.926546 2.036855 -0.485073
C -2.832386 -2.728594 -0.430749
C 2.848758 -2.723564 0.456586
H -0.899476 -3.683546 -0.327525
H 0.908951 -3.675763 0.458860
H -4.671328 0.872051 -0.038477
H 4.683542 0.836844 -0.220931
H -4.618449 -1.536472 -0.425895
H 4.640808 -1.550431 0.317794
H -3.451301 3.002654 0.516416
H 3.457951 2.952980 -0.731159
H -3.345841 -3.672076 -0.605528
H 3.361662 -3.663531 0.656158
H -0.063963 3.395391 0.836104
H 1.456085 3.941186 -1.011594


%chk=000230906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230906

0 1
O -1.063487 3.373084 0.715554
O 0.941661 3.323346 -0.747390
C -1.447507 -0.297171 -0.062852
C 1.448202 -0.302188 0.034524
C -0.744365 0.972259 0.053264
C 0.734802 0.961586 -0.099810
C -0.731664 -1.548917 -0.125462
C 0.729828 -1.552926 0.075490
C -2.895532 -0.345233 -0.068492
C 2.898232 -0.338886 0.085161
C -1.541034 2.122750 0.364081
C 1.552655 2.084407 -0.382024
C -1.447109 -2.747812 -0.346149
C 1.446912 -2.750684 0.294649
C -3.637461 0.859812 0.158701
C 3.643543 0.870020 -0.087421
C -3.578844 -1.582085 -0.270722
C 3.581430 -1.578933 0.286378
C -2.971762 2.046859 0.405857
C 2.974028 2.057919 -0.351335
C -2.860493 -2.770038 -0.437449
C 2.859627 -2.767710 0.411964
H -0.904519 -3.691644 -0.451500
H 0.906917 -3.697286 0.383567
H -4.732606 0.821576 0.157526
H 4.736832 0.842229 -0.035384
H -4.674913 -1.581718 -0.288990
H 4.676141 -1.577363 0.336453
H -3.501551 2.977362 0.627944
H 3.533580 2.985581 -0.530018
H -3.380761 -3.716742 -0.616206
H 3.377909 -3.716530 0.586285
H -0.189768 3.577997 0.241063
H 1.604973 3.962679 -1.099957


