%chk=000231588.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231588

0 1
O 0.239393 2.354937 -0.114705
O -0.227677 -2.350074 -0.135006
O -0.879623 1.268728 -1.746547
O 0.942189 -1.254777 -1.724563
C 0.000743 0.001617 0.179226
C 1.236328 0.191138 1.096232
C -1.263588 -0.192918 1.055037
C 2.526046 0.513440 0.335483
C -2.528161 -0.511082 0.251520
C 3.808370 0.392212 1.200747
C -3.837638 -0.394233 1.075718
C -0.261054 1.222619 -0.710370
C 0.291046 -1.214414 -0.708294
C 4.016071 -1.066961 1.648623
C 5.009675 0.828257 0.335366
C 3.722134 1.306732 2.436784
C -3.791130 -1.315163 2.309123
C -4.059707 1.062620 1.524244
C -5.010470 -0.825653 0.169904
C 0.060577 3.627720 -0.818603
C -0.026154 -3.618937 -0.839798
C 1.055009 3.729969 -1.955294
C -0.983992 -3.715191 -2.008008
H 1.020436 1.015733 1.808212
H 1.370168 -0.724643 1.708319
H -1.417198 0.719492 1.667521
H -1.070540 -1.021379 1.769081
H 2.454022 1.543311 -0.072165
H 2.630257 -0.144057 -0.552461
H -2.442995 -1.538821 -0.158978
H -2.603797 0.151063 -0.635859
H 4.108567 -1.738427 0.788714
H 4.925480 -1.174175 2.247834
H 3.178743 -1.425391 2.255991
H 5.096948 0.217094 -0.568916
H 5.951462 0.732360 0.884489
H 4.920904 1.872116 0.019739
H 3.485854 2.337528 2.153919
H 4.669956 1.325365 2.984181
H 2.951318 0.972133 3.136892
H -4.756065 -1.336533 2.825651
H -3.545811 -2.344499 2.028645
H -3.043251 -0.984280 3.035382
H -3.242323 1.417812 2.160025
H -4.124583 1.738540 0.665296
H -4.987889 1.166831 2.094495
H -5.068620 -0.209836 -0.733560
H -5.969440 -0.732444 0.688928
H -4.911567 -1.867888 -0.148066
H 0.255518 4.342739 0.001017
H -0.986912 3.694792 -1.162593
H -0.246720 -4.338485 -0.030696
H 1.031746 -3.683941 -1.150753
H 1.026552 4.718654 -2.427547
H 2.082267 3.548513 -1.614961
H 0.839250 2.984965 -2.738143
H -0.940683 -4.701499 -2.484068
H -2.021516 -3.535124 -1.699546
H -0.743424 -2.966300 -2.779837


%chk=000231588-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231588

0 1
O 0.171695 2.415818 -0.180677
O -0.156317 -2.391161 -0.170368
O -0.773218 1.253886 -1.961723
O 0.841239 -1.238937 -1.928792
C 0.001188 0.013144 0.054536
C 1.251010 0.151143 1.000938
C -1.280118 -0.121537 0.958694
C 2.602560 0.398991 0.295561
C -2.607059 -0.367985 0.207972
C 3.859718 0.321919 1.221488
C -3.892561 -0.331236 1.096620
C -0.216632 1.244670 -0.842999
C 0.249406 -1.223440 -0.828375
C 4.063512 -1.121614 1.756174
C 5.096655 0.716901 0.369770
C 3.733058 1.306182 2.415611
C -3.798746 -1.359868 2.255458
C -4.121031 1.089753 1.679532
C -5.099839 -0.699049 0.191514
C -0.093083 3.700829 -0.899686
C 0.136368 -3.680525 -0.870451
C 1.061485 4.040697 -1.846193
C -0.983620 -4.031025 -1.853886
H 1.036062 0.983336 1.694353
H 1.291506 -0.779238 1.599333
H -1.339506 0.809263 1.554873
H -1.089475 -0.954062 1.658867
H 2.576645 1.403604 -0.171024
H 2.740019 -0.327908 -0.528803
H -2.554515 -1.359926 -0.282789
H -2.729127 0.377659 -0.601940
H 4.143635 -1.843579 0.920985
H 4.993071 -1.187776 2.352888
H 3.228750 -1.443320 2.406080
H 5.204030 0.049449 -0.506280
H 6.026470 0.650020 0.966061
H 5.005410 1.754394 -0.004450
H 3.536175 2.336284 2.061460
H 4.667493 1.322158 3.008354
H 2.910913 1.017878 3.096285
H -4.752139 -1.403468 2.815635
H -3.583362 -2.374350 1.868660
H -3.001509 -1.093234 2.973414
H -3.314402 1.384479 2.376118
H -4.167965 1.845237 0.871910
H -5.074397 1.131544 2.239796
H -5.186701 0.002779 -0.659709
H -6.047899 -0.663379 0.761226
H -4.988994 -1.719611 -0.222073
H -0.194304 4.436315 -0.085328
H -1.045364 3.604092 -1.450496
H 0.211252 -4.409724 -0.047618
H 1.107014 -3.585115 -1.388440
H 0.884830 5.029460 -2.309236
H 2.020654 4.081805 -1.301099
H 1.139749 3.292010 -2.652107
H -0.789286 -5.023702 -2.301216
H -1.961244 -4.068981 -1.342360
H -1.034657 -3.290044 -2.669046


