%chk=000245132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245132

0 1
O -0.109757 -0.735312 1.703266
O -0.364418 -2.617498 2.896243
C -0.051843 -0.285869 0.265550
C 1.226201 0.491817 -0.015202
C -1.330466 0.528119 0.184834
C 0.060537 -1.623471 -0.473009
C -0.052140 -2.688514 0.450252
C 1.272149 1.360046 -1.134132
C -2.485935 0.143410 -0.527063
C 2.394159 0.355341 0.770902
C -1.381100 1.739513 0.931035
C -0.212985 -2.123004 1.812740
C 0.334614 -1.889195 -1.807039
C 2.424183 2.110928 -1.409014
C -3.590906 1.009604 -0.608087
C 3.537595 1.116961 0.480363
C -2.491366 2.588138 0.839245
C 0.047492 -4.014000 0.054369
C 3.559461 2.004664 -0.599172
C -3.597071 2.238450 0.055709
C 0.127210 1.536797 -2.081974
C -2.650038 -1.170659 -1.222984
C 2.505882 -0.588997 1.922785
C -0.280274 2.165683 1.847568
C 0.443546 -3.230326 -2.214561
C 0.291137 -4.278786 -1.303581
C 4.784796 2.810473 -0.884273
C -4.774530 3.153141 -0.038021
H 0.470861 -1.077525 -2.523246
H 2.434378 2.784327 -2.262744
H -4.462505 0.709399 -1.185009
H 4.422685 1.011040 1.104108
H -2.501163 3.521924 1.396737
H -0.052017 -4.822672 0.779259
H 0.436595 1.983977 -3.035620
H -0.636878 2.207021 -1.652079
H -0.378382 0.591460 -2.321726
H -2.378898 -2.016873 -0.575129
H -2.049919 -1.230985 -2.139620
H -3.692350 -1.351969 -1.524975
H 2.356697 -1.630101 1.604128
H 3.484292 -0.546487 2.418388
H 1.749463 -0.374655 2.699250
H 0.114333 1.313400 2.429224
H 0.566167 2.595724 1.291277
H -0.605418 2.916679 2.577940
H 0.656393 -3.452253 -3.261228
H 0.373424 -5.310411 -1.643400
H 5.116392 3.364955 0.005319
H 5.619143 2.162596 -1.190938
H 4.634850 3.545741 -1.685105
H -5.416985 3.046261 0.849606
H -4.473303 4.208082 -0.092555
H -5.400491 2.948889 -0.916109


%chk=000245132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245132

0 1
O -0.172625 -0.721653 1.750882
O -0.501034 -2.705768 2.931713
C -0.070293 -0.271454 0.281662
C 1.243118 0.521284 0.005157
C -1.374884 0.568677 0.152420
C 0.067633 -1.627691 -0.438448
C -0.094510 -2.682789 0.485115
C 1.293067 1.402337 -1.127146
C -2.534328 0.163288 -0.584822
C 2.440613 0.315620 0.772629
C -1.435108 1.787478 0.916714
C -0.297932 -2.130628 1.845784
C 0.442905 -1.919548 -1.765395
C 2.493814 2.101698 -1.413630
C -3.676560 1.006876 -0.597527
C 3.605250 1.051551 0.443946
C -2.602033 2.584589 0.868163
C 0.022523 -4.037889 0.114487
C 3.659576 1.961400 -0.634665
C -3.737094 2.225112 0.108331
C 0.133683 1.679954 -2.082469
C -2.672566 -1.121827 -1.394316
C 2.581044 -0.660158 1.934985
C -0.312497 2.290211 1.816356
C 0.568476 -3.274108 -2.151871
C 0.342955 -4.330052 -1.228450
C 4.930099 2.729010 -0.953651
C -4.985030 3.089407 0.094277
H 0.649220 -1.123694 -2.486396
H 2.507435 2.779297 -2.276720
H -4.550948 0.686915 -1.177918
H 4.504554 0.896002 1.053320
H -2.624188 3.511650 1.455196
H -0.111920 -4.823999 0.864745
H 0.526712 2.102348 -3.024295
H -0.580707 2.410155 -1.661495
H -0.455373 0.785130 -2.338803
H -2.447349 -2.026081 -0.805759
H -2.013000 -1.143137 -2.280473
H -3.709503 -1.216127 -1.759683
H 2.348689 -1.698282 1.635013
H 3.621365 -0.652952 2.303143
H 1.914247 -0.414919 2.777458
H 0.099047 1.482975 2.441942
H 0.524376 2.721254 1.237966
H -0.697117 3.078371 2.486580
H 0.854324 -3.513563 -3.182207
H 0.446444 -5.369788 -1.556656
H 5.290907 3.292331 -0.072949
H 5.746289 2.046100 -1.257656
H 4.772034 3.449560 -1.774409
H -5.590660 2.926449 1.006996
H -4.732656 4.164563 0.059227
H -5.626986 2.859512 -0.773895


