%chk=000218059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218059

2 1
O 4.526350 0.564358 -0.406231
O -4.529266 0.538482 0.422366
O 2.909627 1.308029 0.958163
O -2.915526 1.316394 -0.926381
N 1.306710 -1.134978 -0.800276
N -1.303130 -1.156429 0.781010
C 0.756663 0.077133 -0.052899
C 0.764864 -2.390183 -0.105828
C -0.757701 0.073094 0.059128
C -0.756565 -2.394801 0.060531
C 2.841895 -1.174741 -0.720810
C -2.838158 -1.200329 0.700665
C 0.888147 -1.115467 -2.252218
C -0.884588 -1.165653 2.233067
C 3.550921 0.050795 -1.327579
C -3.551776 0.009617 1.332809
C 4.097865 1.294786 0.701970
C -4.103674 1.293351 -0.670466
C 5.254981 1.898842 1.373723
C -5.263140 1.906824 -1.329508
H 1.258242 0.157085 0.955697
H 1.094707 1.032090 -0.550084
H 1.063230 -3.305370 -0.687434
H 1.271443 -2.505290 0.887320
H -1.259620 0.172185 -0.947606
H -1.099347 1.016176 0.576115
H -1.051445 -3.323049 0.622893
H -1.262747 -2.491067 -0.934822
H 3.205446 -2.103979 -1.226623
H 3.162557 -1.268965 0.348907
H -3.198189 -2.141272 1.186973
H -3.158493 -1.273452 -0.370799
H 1.249963 -0.204028 -2.774547
H 1.300267 -1.978124 -2.815845
H -0.208062 -1.130539 -2.385246
H -1.249735 -0.266644 2.774267
H -1.293510 -2.041392 2.778571
H 0.211673 -1.179501 2.365794
H 2.867647 0.865015 -1.630601
H 4.201736 -0.232662 -2.189620
H -4.201392 -0.294156 2.188806
H -2.871576 0.819974 1.652639
H 6.231795 1.548418 0.981712
H 5.253334 1.713744 2.465606
H 5.261152 3.004403 1.258563
H -5.261004 1.744265 -2.424972
H -6.238577 1.544763 -0.944712
H -5.273391 3.009747 -1.191589


%chk=000218059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218059

2 1
O 4.803715 0.446384 -0.458653
O -4.806379 0.420753 0.474382
O 3.327215 1.212594 1.158237
O -3.333806 1.225504 -1.127024
N 1.310081 -1.006065 -0.826197
N -1.306820 -1.025509 0.807597
C 0.759176 0.232550 -0.082894
C 0.765367 -2.253412 -0.100800
C -0.762741 0.227147 0.083496
C -0.757175 -2.258122 0.061130
C 2.866140 -1.077081 -0.717314
C -2.862737 -1.101713 0.699861
C 0.915923 -0.997268 -2.305738
C -0.910458 -1.038964 2.286503
C 3.628035 0.143731 -1.300998
C -3.628923 0.103942 1.308999
C 4.518581 1.067845 0.784894
C -4.524369 1.069779 -0.755703
C 5.769833 1.490506 1.489371
C -5.777557 1.504950 -1.449018
H 1.322789 0.317408 0.860218
H 1.017558 1.129263 -0.667834
H 1.059652 -3.144202 -0.681841
H 1.280934 -2.303863 0.872452
H -1.326070 0.323075 -0.858653
H -1.026832 1.113512 0.681467
H -1.047378 -3.159882 0.627071
H -1.273021 -2.294288 -0.912629
H 3.155899 -2.012560 -1.226338
H 3.094814 -1.169526 0.355849
H -3.147128 -2.048287 1.191106
H -3.092910 -1.174336 -0.374550
H 1.371292 -0.120649 -2.789599
H 1.289366 -1.916886 -2.782100
H -0.175409 -0.936515 -2.417972
H -1.368667 -0.172241 2.785247
H -1.279297 -1.967878 2.748222
H 0.180758 -0.975433 2.398074
H 2.994244 1.046339 -1.366338
H 4.061107 -0.073599 -2.287682
H -4.060567 -0.135849 2.291116
H -2.998283 1.007287 1.393401
H 6.601095 0.799998 1.278568
H 5.591585 1.570295 2.571737
H 6.075132 2.488515 1.120428
H -5.599428 1.615102 -2.528692
H -6.605212 0.804487 -1.257485
H -6.088523 2.490659 -1.052777


