%chk=000251733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251733

0 1
O 4.603282 -0.047416 0.137608
O -3.007617 -2.127909 -1.134502
O 4.643973 1.412651 -1.593533
C -0.241170 -0.433666 0.762433
C -0.786660 0.538725 -0.323152
C 1.064587 -1.005159 0.219619
C -2.233103 0.850740 0.171335
C 2.099751 0.166017 0.068740
C -2.710086 -0.572920 0.693038
C -1.414827 -1.394092 0.986737
C 0.181579 1.695940 -0.591816
C 1.573797 1.155948 -0.986872
C 1.834045 -2.086186 0.993277
C 3.358145 -0.654714 -0.344246
C -3.067415 1.382573 -1.016835
C 3.272336 -1.988961 0.431010
C -2.222057 1.898715 1.291511
C 2.387440 0.903150 1.384607
C -3.591733 -0.527201 1.942403
C -3.506764 -1.273421 -0.431294
C -4.556655 1.592068 -0.722330
C -4.935572 -0.899371 -0.614636
C -5.388168 0.347755 -0.758909
C 5.149596 0.986634 -0.580715
C 6.402836 1.434630 0.091028
H -0.040130 0.118842 1.711459
H -0.884243 -0.036134 -1.282494
H 0.852866 -1.423933 -0.799758
H -1.345447 -2.268288 0.306652
H -1.411735 -1.808389 2.005162
H 0.274014 2.346458 0.297499
H -0.207792 2.338938 -1.401972
H 1.520906 0.667764 -1.978150
H 2.289529 1.991068 -1.117936
H 1.400535 -3.086372 0.839693
H 1.814859 -1.899847 2.079442
H 3.451356 -0.778337 -1.439492
H -2.954205 0.713397 -1.894980
H -2.628652 2.348241 -1.341834
H 4.024492 -2.004431 1.241172
H 3.506892 -2.840615 -0.226595
H -1.635058 1.560595 2.152738
H -1.781315 2.840950 0.946531
H -3.233744 2.126409 1.645429
H 3.048272 1.759737 1.216439
H 1.466081 1.274711 1.847421
H 2.885834 0.250388 2.110448
H -3.031742 -0.171348 2.815092
H -4.455156 0.134947 1.813184
H -3.977172 -1.523180 2.192900
H -4.964587 2.325010 -1.451537
H -4.679728 2.072558 0.275486
H -5.602140 -1.763173 -0.669723
H -6.455969 0.529885 -0.917848
H 7.268650 1.303460 -0.576645
H 6.604868 0.876268 1.018444
H 6.347920 2.504492 0.343868


%chk=000251733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251733

0 1
O 4.652764 0.085154 0.033545
O -2.822819 -2.261782 -1.244383
O 4.696251 0.703436 -2.223977
C -0.282225 -0.400439 0.930743
C -0.798446 0.619351 -0.117298
C 1.079489 -0.926961 0.462752
C -2.283126 0.884001 0.304669
C 2.115464 0.245792 0.313625
C -2.767860 -0.625385 0.617557
C -1.458821 -1.401369 1.032054
C 0.168820 1.801386 -0.343658
C 1.588203 1.274381 -0.721822
C 1.845096 -2.006664 1.269567
C 3.337834 -0.603540 -0.141841
C -3.041204 1.591785 -0.853123
C 3.322468 -1.872983 0.759292
C -2.359942 1.776677 1.570735
C 2.438557 0.952199 1.658005
C -3.837615 -0.731496 1.744182
C -3.387994 -1.290906 -0.652828
C -4.585537 1.650348 -0.753660
C -4.744148 -0.884455 -1.132938
C -5.281507 0.369036 -1.154252
C 5.225337 0.694163 -1.088009
C 6.561730 1.316275 -0.736879
H -0.145662 0.108321 1.906406
H -0.851662 0.063911 -1.083044
H 0.923063 -1.341611 -0.560389
H -1.308588 -2.239895 0.327060
H -1.559960 -1.827919 2.046402
H 0.232615 2.432783 0.563789
H -0.196362 2.455888 -1.159566
H 1.542052 0.793265 -1.719920
H 2.290135 2.125383 -0.816423
H 1.434959 -3.016873 1.097821
H 1.780708 -1.809612 2.356046
H 3.236269 -0.850279 -1.215709
H -2.779084 1.106733 -1.815445
H -2.656637 2.629201 -0.913356
H 4.034238 -1.735917 1.592252
H 3.649357 -2.761812 0.192673
H -1.803036 1.349422 2.422641
H -1.933750 2.773909 1.355837
H -3.401726 1.931005 1.903928
H 3.259493 1.676017 1.511030
H 1.567258 1.503849 2.049560
H 2.764192 0.241096 2.436853
H -3.424838 -0.366824 2.700529
H -4.756807 -0.164173 1.520868
H -4.126368 -1.789111 1.891444
H -4.962688 2.459727 -1.409603
H -4.897320 1.944797 0.272091
H -5.310464 -1.715573 -1.575016
H -6.296856 0.477769 -1.564183
H 7.357339 0.823472 -1.322936
H 6.780155 1.218092 0.336017
H 6.557006 2.381555 -1.025116


