%chk=000245871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245871

0 1
O -3.768900 1.899340 -0.931066
O -3.903058 -0.462378 -1.875129
O 6.858909 -0.476543 0.012470
C -1.455428 1.065503 -0.428997
C -1.018197 -0.370454 0.014286
C 0.467938 -0.589314 -0.291148
C -2.992298 0.991083 -0.163209
C -3.385945 -0.491739 -0.529140
C -2.064886 -1.293846 -0.625684
C 1.274666 0.417596 0.581649
C -0.689308 2.076810 0.438449
C 0.828828 1.870046 0.292828
C 0.937571 -2.016343 0.021478
C -1.209530 1.343289 -1.917535
C -4.409353 -1.110141 0.429912
C 2.764528 0.215818 0.403361
C 2.399368 -2.187606 -0.404550
C 3.283331 -1.027566 -0.030659
C -5.721468 -0.317716 0.479567
C 3.657560 1.243252 0.730570
C 4.664420 -1.208620 -0.146573
C -6.775888 -1.022142 1.342175
C 5.042464 1.084862 0.621711
C 5.528947 -0.148619 0.178614
C -8.079037 -0.228461 1.395343
C 7.845835 0.537003 0.317029
H -1.145520 -0.449584 1.125363
H 0.665038 -0.376556 -1.370205
H -3.254657 1.261050 0.878672
H -1.837235 -1.502878 -1.689555
H -2.123596 -2.272131 -0.128623
H 1.050102 0.199319 1.659386
H -0.984890 1.980163 1.499235
H -0.957816 3.109770 0.146573
H 1.147927 2.155860 -0.728610
H 1.353540 2.562962 0.978871
H 0.304976 -2.755720 -0.503683
H 0.826948 -2.232463 1.100999
H -0.153590 1.214992 -2.183771
H -1.789561 0.661623 -2.555359
H -1.491306 2.370381 -2.175471
H -3.971080 -1.186431 1.443458
H -4.614103 -2.153434 0.113642
H 2.453523 -2.325017 -1.507084
H 2.803485 -3.125408 0.030384
H -3.675869 1.689793 -1.895516
H -4.866588 -0.253579 -1.866195
H -5.535873 0.705943 0.864497
H -6.108834 -0.172493 -0.551053
H 3.272410 2.201849 1.085119
H 5.089267 -2.151463 -0.482067
H -6.385738 -1.168482 2.368638
H -6.972932 -2.037795 0.946203
H 5.703808 1.902791 0.878934
H -8.517931 -0.102648 0.398938
H -7.925384 0.773904 1.812235
H -8.824760 -0.732318 2.020534
H 8.783872 0.011061 0.097261
H 7.791010 0.815735 1.373120
H 7.718188 1.401687 -0.340324


%chk=000245871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245871

0 1
O -3.844073 2.038684 -0.845241
O -4.032527 -0.258718 -2.061263
O 6.965520 -0.565802 0.195945
C -1.479771 1.115915 -0.538812
C -1.040329 -0.324669 -0.129364
C 0.461273 -0.576954 -0.351558
C -3.009087 1.012712 -0.242457
C -3.426834 -0.446621 -0.706626
C -2.085958 -1.243440 -0.808310
C 1.264168 0.449446 0.510712
C -0.709522 2.121029 0.346932
C 0.826113 1.917776 0.231827
C 0.914620 -2.005966 0.015482
C -1.267926 1.440277 -2.040105
C -4.451751 -1.113117 0.236969
C 2.779595 0.214120 0.394368
C 2.386822 -2.218886 -0.392830
C 3.300330 -1.060521 0.006374
C -5.757549 -0.318372 0.468188
C 3.706994 1.234490 0.716955
C 4.696109 -1.263604 -0.041743
C -6.694591 -1.011073 1.483742
C 5.104774 1.038603 0.667475
C 5.601460 -0.229176 0.283479
C -8.004455 -0.228402 1.717283
C 7.934888 0.479704 0.525005
H -1.209920 -0.398932 0.971914
H 0.703906 -0.413807 -1.423726
H -3.164246 1.096511 0.852785
H -1.839371 -1.400207 -1.874389
H -2.160287 -2.235799 -0.326542
H 0.978274 0.234482 1.568539
H -1.013986 1.977324 1.406293
H -0.973330 3.161507 0.075955
H 1.179745 2.219948 -0.773217
H 1.318424 2.598728 0.951807
H 0.280009 -2.758911 -0.489958
H 0.792865 -2.157111 1.108240
H -0.201921 1.431884 -2.322534
H -1.803856 0.735733 -2.699030
H -1.665536 2.450283 -2.244852
H -3.950854 -1.281087 1.212339
H -4.696647 -2.126105 -0.155282
H 2.436114 -2.339976 -1.495451
H 2.777014 -3.162173 0.035776
H -4.180306 1.636242 -1.695367
H -4.714288 -0.958085 -2.213918
H -5.513869 0.702371 0.818944
H -6.297658 -0.184270 -0.491729
H 3.339642 2.220592 1.019155
H 5.106071 -2.236877 -0.335127
H -6.159207 -1.133163 2.447920
H -6.932080 -2.035842 1.129637
H 5.777018 1.862311 0.925790
H -8.576398 -0.121198 0.776245
H -7.794248 0.789008 2.096879
H -8.655202 -0.736976 2.452119
H 8.921345 0.011994 0.389206
H 7.824375 0.818479 1.574083
H 7.838013 1.349285 -0.154632


