%chk=000254066.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254066

0 1
O -0.257036 0.092492 3.522603
O 0.928488 2.543665 1.008019
O 2.178212 0.657889 0.880328
C -0.569927 -0.389822 -0.059057
C -0.635024 -1.855771 0.486223
C -0.259724 0.538172 1.141391
C -0.492792 -1.784073 2.017662
C -0.316254 -0.338497 2.402126
C -1.863675 0.000268 -0.736786
C 0.434189 -2.727495 -0.133680
C 1.096583 1.186427 0.997703
C -1.859593 0.321187 -2.101819
C -3.071168 0.039861 -0.021352
C 0.060693 -3.884943 -0.832287
C 1.793621 -2.400106 -0.014834
C -3.049482 0.680390 -2.742437
C -4.257077 0.400417 -0.664805
C 2.118506 3.388575 0.887240
C 1.037452 -4.707017 -1.402691
C 2.765541 -3.223938 -0.586045
C 2.550288 3.474973 -0.586259
C -4.249158 0.721759 -2.026488
C 2.390682 -4.379542 -1.280200
C 1.454848 4.123371 -1.435186
C 3.866069 4.252194 -0.680485
H 0.265938 -0.322798 -0.802802
H -1.639112 -2.284502 0.240653
H -1.037158 1.346023 1.236794
H 0.373721 -2.376809 2.384186
H -1.367420 -2.222980 2.534301
H -0.930700 0.290370 -2.669891
H -3.085943 -0.211147 1.037886
H -0.990118 -4.148965 -0.935470
H 2.097542 -1.492562 0.519363
H 2.911056 2.977617 1.535660
H 1.738985 4.343529 1.290711
H -3.039334 0.928505 -3.802915
H -5.190445 0.431771 -0.104357
H 0.741182 -5.604129 -1.943431
H 3.818782 -2.962969 -0.490010
H 2.721717 2.430424 -0.956162
H -5.174270 1.002888 -2.525985
H 3.150119 -5.020085 -1.723503
H 0.491114 3.620615 -1.279641
H 1.312896 5.180271 -1.184613
H 1.692141 4.068787 -2.502638
H 3.771584 5.271333 -0.289993
H 4.670726 3.754391 -0.126997
H 4.196134 4.336583 -1.722928


%chk=000254066-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254066

0 1
O 1.403437 0.126810 3.516594
O 1.087450 2.742394 1.268822
O 2.539508 1.280499 0.165098
C 0.247360 -0.647665 0.115472
C -0.145696 -1.940768 0.927629
C 0.481032 0.427903 1.213274
C 0.760874 -1.866053 2.182858
C 0.954425 -0.375689 2.465136
C -0.758143 -0.252096 -0.957154
C -0.027458 -3.229042 0.123582
C 1.484376 1.495037 0.808314
C -0.389045 -0.266665 -2.324952
C -2.084095 0.128055 -0.618867
C -1.175797 -4.010147 -0.156210
C 1.227257 -3.671527 -0.373480
C -1.315631 0.088204 -3.331525
C -3.013001 0.484444 -1.620219
C 2.008406 3.888652 0.984193
C -1.079118 -5.205129 -0.905161
C 1.329425 -4.864130 -1.121477
C 1.713137 4.521407 -0.388813
C -2.631799 0.465899 -2.982625
C 0.175558 -5.638040 -1.389531
C 0.263885 5.050169 -0.473922
C 2.743481 5.647394 -0.647274
H 1.226246 -0.833630 -0.367723
H -1.199418 -1.829080 1.251692
H -0.460905 0.933834 1.499563
H 1.760704 -2.298091 1.974051
H 0.364913 -2.394051 3.066766
H 0.631731 -0.558032 -2.600106
H -2.398795 0.148893 0.432838
H -2.154141 -3.676872 0.211873
H 2.133687 -3.083272 -0.180123
H 3.048746 3.521373 1.037408
H 1.804002 4.594358 1.807352
H -1.010889 0.069972 -4.383943
H -4.031704 0.777103 -1.341253
H -1.979875 -5.794488 -1.110429
H 2.306265 -5.190627 -1.496079
H 1.855028 3.735316 -1.156353
H -3.352018 0.742651 -3.760643
H 0.254839 -6.564159 -1.969626
H -0.466713 4.251794 -0.254824
H 0.102433 5.871328 0.251343
H 0.051001 5.443742 -1.484550
H 2.664934 6.440764 0.121089
H 3.779896 5.261703 -0.639501
H 2.563601 6.116154 -1.631480


