%chk=000248933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248933

0 1
O 3.061489 -0.217519 0.679373
O -7.694279 -0.039944 0.581704
O 4.098547 1.784800 0.460202
O 8.752593 0.219790 -1.005318
O 7.242238 -0.869733 -2.248470
C -0.012639 -0.766698 0.235047
C 0.760359 0.587166 0.176609
C -1.417161 -0.712952 -0.398312
C -2.256860 0.478490 0.115685
C -3.680258 0.532569 -0.531658
C -0.135184 1.768377 0.617724
C -1.477545 1.786744 -0.117347
C 1.866539 0.413858 1.268517
C 0.029755 -1.171396 1.725881
C -2.166945 -2.035020 -0.156729
C 1.366972 -0.637744 2.269225
C -4.357300 -0.836284 -0.452608
C 1.356421 0.845545 -1.205390
C -3.530027 -2.026418 -0.852304
C -4.510317 1.581999 0.259508
C -3.626413 0.915100 -2.021951
C -6.004589 1.522054 -0.044160
C -5.649305 -0.990581 -0.119410
C -6.557890 0.129690 0.190895
C 4.106115 0.585063 0.305977
C 5.181967 -0.279351 -0.295475
C 6.524544 0.445274 -0.295997
C 7.461829 -0.159892 -1.296381
H 0.582045 -1.521712 -0.338201
H -1.274155 -0.584242 -1.501604
H -2.400107 0.343881 1.217425
H 0.397105 2.724135 0.446399
H -0.317953 1.715045 1.709220
H -2.072391 2.654897 0.225742
H -1.307558 1.945661 -1.199981
H 2.183320 1.370609 1.727121
H -0.046406 -2.263474 1.848391
H -0.819946 -0.732896 2.278237
H -2.309727 -2.207262 0.928092
H -1.564483 -2.888189 -0.521759
H 1.256682 -0.211636 3.279342
H 2.112145 -1.453717 2.356840
H 1.984905 1.745836 -1.208257
H 1.980264 0.007775 -1.538462
H 0.571882 0.991301 -1.956122
H -4.062734 -2.975786 -0.636013
H -3.399800 -2.012355 -1.956479
H -4.127976 2.598443 0.043819
H -4.357505 1.427255 1.347282
H -2.915617 0.289110 -2.572936
H -4.607096 0.801398 -2.499061
H -3.321562 1.957952 -2.160353
H -6.211477 1.812283 -1.094517
H -6.559877 2.256012 0.574514
H -6.122158 -1.972495 -0.061389
H 4.882614 -0.559419 -1.336120
H 5.246245 -1.251024 0.242826
H 6.984697 0.447654 0.718282
H 6.385642 1.531874 -0.532831
H 9.416026 -0.139904 -1.654286


%chk=000248933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248933

0 1
O 3.148685 -0.340058 0.647720
O -7.847242 0.081880 0.556109
O 4.155569 1.762510 0.463789
O 8.935968 0.512489 -1.028726
O 7.396814 -0.643234 -2.325532
C -0.064518 -0.857675 0.308726
C 0.775075 0.457743 0.183103
C -1.469212 -0.778305 -0.353736
C -2.288224 0.460874 0.109754
C -3.720726 0.561983 -0.566205
C -0.088121 1.667661 0.656466
C -1.452165 1.757016 -0.062345
C 1.909081 0.272542 1.246465
C -0.037752 -1.174452 1.830799
C -2.269113 -2.079394 -0.118972
C 1.381847 -0.739377 2.298332
C -4.437494 -0.795879 -0.449567
C 1.312274 0.696322 -1.244420
C -3.642111 -2.030291 -0.829881
C -4.540965 1.659472 0.182113
C -3.618038 0.921945 -2.084519
C -6.055567 1.618053 -0.107495
C -5.750304 -0.910535 -0.065083
C -6.644372 0.238178 0.180364
C 4.186474 0.519088 0.297691
C 5.334191 -0.260157 -0.323907
C 6.652789 0.530081 -0.274557
C 7.643948 0.050798 -1.313927
H 0.499118 -1.664732 -0.208553
H -1.300188 -0.682365 -1.449254
H -2.484938 0.333232 1.198351
H 0.485070 2.601398 0.492616
H -0.264142 1.597203 1.749462
H -2.006359 2.627035 0.336949
H -1.287432 1.955373 -1.138845
H 2.216728 1.246035 1.667738
H -0.222699 -2.242370 2.038511
H -0.817168 -0.601249 2.366580
H -2.429358 -2.226010 0.967395
H -1.691295 -2.952332 -0.482146
H 1.377381 -0.308535 3.314604
H 2.068470 -1.604215 2.313268
H 1.954864 1.594524 -1.283685
H 1.903859 -0.168326 -1.593890
H 0.485634 0.845079 -1.961388
H -4.230094 -2.940652 -0.612359
H -3.467339 -2.020981 -1.927361
H -4.147801 2.659147 -0.079380
H -4.388767 1.527762 1.272703
H -2.959596 0.225542 -2.633193
H -4.611845 0.883371 -2.565167
H -3.218981 1.942614 -2.218701
H -6.256097 1.853289 -1.172968
H -6.603419 2.368925 0.488820
H -6.215364 -1.900785 0.029876
H 5.074778 -0.472815 -1.380028
H 5.419877 -1.243325 0.168838
H 7.125657 0.490312 0.721785
H 6.445713 1.602277 -0.464089
H 9.556640 0.216291 -1.749052


