%chk=000257692.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257692

0 1
O 3.549363 -1.125149 -0.087491
O 1.640898 4.130945 -0.486991
O 1.999824 -0.503496 -1.615121
O 3.136996 3.311769 0.958069
C 1.035994 -0.070974 1.527768
C 0.011004 1.847257 0.820093
C 2.106658 0.585060 0.591383
C 1.373184 1.850171 0.042795
C -0.252067 0.344871 0.824442
C 0.951847 0.795506 2.816046
C 0.264358 2.103043 2.331809
C -1.264514 -0.375258 0.342833
C 2.493181 -0.363962 -0.519671
C 2.168481 3.105678 0.264858
C -1.262773 -1.857601 0.387635
C -2.450262 0.245899 -0.292418
C -0.400720 -2.575652 -0.456219
C -3.290128 1.087808 0.453018
C -2.125039 -2.539805 1.258041
C -2.736915 -0.012866 -1.641961
C 4.103485 -2.128052 -0.999540
C -0.401896 -3.971854 -0.422031
C -4.408369 1.667915 -0.151900
C -2.116691 -3.937140 1.288615
C -3.854359 0.573964 -2.240343
C 4.962654 -1.452257 -2.046563
C -1.256519 -4.654147 0.450828
C -4.691192 1.413970 -1.497693
H 1.191117 -1.143151 1.706678
H -0.749250 2.495978 0.364204
H 3.020240 0.866363 1.175074
H 1.159544 1.740002 -1.055111
H 0.354777 0.287393 3.589396
H 1.943409 0.987464 3.253149
H -0.686065 2.277500 2.860177
H 0.892128 2.988142 2.512349
H 2.136451 4.985958 -0.373039
H 0.261216 -2.039247 -1.141089
H -3.071496 1.282843 1.500782
H -2.800309 -1.980105 1.902600
H -2.085197 -0.670104 -2.217528
H 4.682805 -2.749364 -0.291885
H 3.267974 -2.701697 -1.437554
H 0.262224 -4.530235 -1.079385
H -5.060877 2.319025 0.427105
H -2.784741 -4.467812 1.964821
H -4.074237 0.375359 -3.288196
H 5.694194 -0.771961 -1.590761
H 4.350681 -0.853495 -2.738357
H 5.516079 -2.184295 -2.646358
H -1.254419 -5.741790 0.475256
H -5.561531 1.868085 -1.966718


%chk=000257692-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257692

0 1
O 3.646929 -1.140318 -0.039456
O 1.568547 4.185650 -0.670784
O 2.276587 -0.338936 -1.748549
O 3.143298 3.391790 0.833443
C 1.049029 -0.065891 1.426266
C 0.014533 1.861651 0.735088
C 2.150480 0.633881 0.530004
C 1.390606 1.872296 -0.046802
C -0.248914 0.353854 0.731719
C 0.945936 0.780147 2.738235
C 0.285694 2.126791 2.251131
C -1.319280 -0.376818 0.297886
C 2.670296 -0.288281 -0.557177
C 2.147030 3.171889 0.105642
C -1.287500 -1.878820 0.290177
C -2.577886 0.269998 -0.198354
C -0.225104 -2.589993 -0.330889
C -3.177338 1.365502 0.482847
C -2.346144 -2.622801 0.879899
C -3.220945 -0.227914 -1.365737
C 4.239688 -2.139627 -0.983756
C -0.208098 -4.002511 -0.336937
C -4.363372 1.959899 -0.000852
C -2.325621 -4.034013 0.881262
C -4.402156 0.369104 -1.853984
C 5.408434 -1.524371 -1.757751
C -1.253472 -4.731316 0.275330
C -4.978659 1.468671 -1.175426
H 1.218706 -1.137763 1.593184
H -0.734122 2.514123 0.268097
H 3.004275 0.938633 1.159252
H 1.173429 1.716754 -1.119465
H 0.301174 0.262167 3.470020
H 1.935024 0.936328 3.203369
H -0.663362 2.322452 2.781060
H 0.943163 2.997935 2.415905
H 2.075151 5.031815 -0.530914
H 0.560699 -2.028831 -0.847606
H -2.727694 1.728248 1.414122
H -3.183437 -2.087182 1.341780
H -2.781288 -1.081250 -1.893988
H 4.564549 -2.957912 -0.321392
H 3.446723 -2.491072 -1.667692
H 0.613550 -4.533535 -0.831504
H -4.812387 2.798248 0.543925
H -3.145376 -4.589895 1.350498
H -4.873789 -0.022503 -2.762374
H 6.168902 -1.120820 -1.067382
H 5.057308 -0.713432 -2.417413
H 5.887218 -2.297850 -2.386776
H -1.240677 -5.827086 0.269825
H -5.899137 1.929414 -1.551106


