%chk=000179143.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179143

0 1
O 0.366525 -2.520202 -0.961361
O -0.167755 -3.341076 1.082408
O 3.237278 1.314460 0.657381
C -2.917319 -2.082413 0.747102
C -2.085516 -0.809366 0.973478
C -1.673345 -1.822856 -0.106848
C -4.263468 -1.674172 0.144157
C -2.926358 0.323654 0.490466
C -4.179210 -0.169630 0.021381
C -0.462599 -2.645179 0.140771
C -2.640347 1.678071 0.466602
C -5.137749 0.703192 -0.466991
C -3.619783 2.560020 -0.028155
C -4.845978 2.080525 -0.485581
C 1.670515 -3.161378 -0.903383
C 2.726051 -2.182420 -0.462900
C 2.401280 -0.854939 -0.163437
C 4.052140 -2.630918 -0.361585
C 3.430561 0.000195 0.241345
C 5.059772 -1.749850 0.047095
C 4.765542 -0.421158 0.351780
C 2.135597 2.045624 0.205774
C 1.665992 1.995741 -1.110861
C 1.610312 2.924674 1.164960
C 0.627050 2.859344 -1.469318
C 0.580186 3.781426 0.776023
C 0.084843 3.747310 -0.533865
H -2.918667 -2.918815 1.444579
H -1.448136 -0.647523 1.840658
H -1.793684 -1.535526 -1.164260
H -4.440716 -2.157202 -0.834228
H -5.100214 -1.976672 0.801571
H -1.679922 2.057930 0.813013
H -6.097076 0.342198 -0.827838
H -3.410772 3.627843 -0.051548
H -5.593645 2.776245 -0.863858
H 1.815819 -3.483489 -1.953711
H 1.621047 -4.043158 -0.230625
H 1.370020 -0.510822 -0.239097
H 4.302452 -3.663373 -0.592488
H 6.087850 -2.105082 0.127397
H 5.532431 0.279295 0.673354
H 2.103482 1.313417 -1.836459
H 2.013304 2.930838 2.175343
H 0.240521 2.840126 -2.488573
H 0.158976 4.480150 1.498843
H -0.721187 4.416638 -0.826310


%chk=000179143-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179143

0 1
O 0.251131 -2.770551 -0.282308
O -0.075114 -1.726551 1.791450
O 3.916644 1.307011 0.331404
C -2.978971 -1.458816 1.069716
C -2.327588 -0.212053 0.461845
C -1.808391 -1.645574 0.077447
C -4.400470 -1.586656 0.496880
C -3.321464 0.352114 -0.504005
C -4.495289 -0.455162 -0.527988
C -0.495222 -2.029673 0.643843
C -3.213337 1.486316 -1.334934
C -5.555204 -0.142231 -1.400118
C -4.288672 1.809750 -2.198541
C -5.448287 0.998466 -2.235266
C 1.642143 -3.161654 0.147787
C 2.662524 -2.168854 -0.366232
C 2.768744 -0.891653 0.240253
C 3.515576 -2.508130 -1.445322
C 3.707916 0.035673 -0.259190
C 4.471957 -1.577733 -1.913374
C 4.571121 -0.298633 -1.327004
C 2.830094 2.064354 0.842468
C 1.543209 2.056562 0.254431
C 3.132143 2.919061 1.925130
C 0.548874 2.913862 0.776552
C 2.128306 3.772388 2.432374
C 0.832280 3.772221 1.864255
H -2.775501 -1.736163 2.106587
H -1.636208 0.417353 1.027725
H -2.019788 -2.004460 -0.932837
H -4.589795 -2.581188 0.050186
H -5.147629 -1.447627 1.302784
H -2.309105 2.105835 -1.322867
H -6.459817 -0.761056 -1.427263
H -4.220872 2.689790 -2.847944
H -6.270973 1.258311 -2.910990
H 1.781877 -4.158230 -0.298619
H 1.646096 -3.222872 1.250246
H 2.126683 -0.638013 1.090307
H 3.430764 -3.493866 -1.916983
H 5.136063 -1.844315 -2.742489
H 5.297537 0.441223 -1.675833
H 1.325777 1.403147 -0.596336
H 4.141086 2.903088 2.347907
H -0.448830 2.918500 0.321706
H 2.358975 4.435089 3.273631
H 0.055105 4.433299 2.261728


