%chk=000275507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275507

0 1
O -2.046845 2.463163 -2.177222
O -3.200667 0.805505 -3.128171
O 2.735996 -1.380909 0.177878
O 5.286351 2.512091 0.038356
O 0.559722 -5.496765 0.452077
C -1.509123 1.286537 1.283363
C -3.418497 0.744419 0.174859
C -2.838050 2.030687 0.872709
C -0.983780 0.904851 -0.155272
C -2.287559 0.451056 -0.886960
C -2.074231 0.020980 1.923030
C -3.210815 -0.296125 1.274326
C 0.224995 0.005866 -0.096134
C -3.661350 2.579717 2.019209
C -2.575554 1.185784 -2.168876
C 1.506786 0.716778 -0.073120
C 0.252348 -1.360521 -0.012165
C 2.710206 -0.014108 0.065889
C 1.521293 -2.080986 0.147482
C 1.640863 2.122568 -0.191804
C -0.901460 -2.264187 -0.050683
C 3.981311 0.576015 0.105678
C 1.669588 -3.412648 0.295212
C 2.871810 2.752399 -0.158341
C -0.807442 -3.595706 0.089527
C 4.039328 1.964378 -0.005864
C 0.491649 -4.294415 0.296975
H -0.792924 1.849851 1.885975
H -4.427188 0.816811 -0.239841
H -2.649943 2.844687 0.138823
H -0.665228 1.870921 -0.649873
H -2.272880 -0.643046 -1.135605
H -1.586042 -0.476074 2.738512
H -3.892712 -1.107448 1.432762
H -4.622618 2.972248 1.664772
H -3.886022 1.820579 2.780066
H -3.138042 3.398728 2.527423
H -2.244787 2.948269 -3.024088
H 0.734514 2.729605 -0.324498
H -1.883390 -1.804333 -0.217728
H 4.881473 -0.028448 0.217073
H 2.641554 -3.887946 0.419567
H 2.945116 3.831526 -0.251310
H -1.677779 -4.251797 0.054871
H 5.272625 3.501444 -0.048958


%chk=000275507-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275507

0 1
O -1.875650 2.324612 -2.303954
O -3.160618 0.580224 -3.123749
O 2.790574 -1.397550 -0.124930
O 5.351976 2.597900 -0.044137
O 0.654469 -5.663951 0.085101
C -1.612823 1.299312 1.376984
C -3.478651 0.816906 0.172455
C -2.862241 2.091066 0.846649
C -1.005434 0.842059 -0.039282
C -2.289843 0.397976 -0.833460
C -2.277660 0.093544 2.036678
C -3.404438 -0.191721 1.319032
C 0.248593 -0.024245 0.006806
C -3.734460 2.791379 1.899006
C -2.486626 1.059220 -2.186073
C 1.524126 0.709959 -0.002396
C 0.301094 -1.433640 0.059084
C 2.762480 -0.008302 -0.065277
C 1.589008 -2.135174 -0.023004
C 1.643147 2.133233 0.065863
C -0.849039 -2.320782 0.203156
C 4.020636 0.615151 -0.084772
C 1.730601 -3.504430 -0.024115
C 2.884844 2.784497 0.059172
C -0.733957 -3.691204 0.223450
C 4.080756 2.018779 -0.023452
C 0.566596 -4.382274 0.089357
H -0.885420 1.852251 1.991012
H -4.453080 0.920458 -0.328136
H -2.558272 2.831125 0.081926
H -0.700218 1.781589 -0.523405
H -2.344854 -0.679214 -1.043430
H -1.863660 -0.471174 2.875638
H -4.090609 -1.031732 1.455832
H -4.634102 3.228794 1.427512
H -4.065403 2.095483 2.688527
H -3.177593 3.616756 2.380077
H -2.078392 2.692904 -3.206553
H 0.747440 2.754801 0.134234
H -1.829309 -1.874880 0.363965
H 4.931282 0.015720 -0.143481
H 2.722896 -3.956306 -0.104765
H 2.929273 3.878798 0.116125
H -1.614923 -4.330819 0.347599
H 5.300082 3.584906 0.003029


