%chk=000187901.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187901

0 1
O 1.858861 -0.455650 0.632722
O 2.559807 -3.116263 -0.236959
O -2.903518 -0.151445 0.533338
O -3.792288 -3.103184 -1.488348
O 5.922260 -2.076928 -0.638255
O -5.941493 -1.601197 -1.755461
O -7.018636 0.909953 -1.682312
O 4.822601 3.391099 -0.627861
O -4.934772 4.062902 1.170590
O 6.744049 3.340651 1.075302
C 3.166994 -1.047508 0.931946
C 3.538299 -2.031110 -0.199198
C -2.889375 -1.549144 0.058638
C -1.426121 -1.912449 -0.022945
C -3.625334 -1.700253 -1.285792
C 0.901297 -1.393490 0.279233
C 1.246182 -2.687438 -0.168637
C 4.116720 0.119165 1.002183
C -0.435153 -0.996227 0.352765
C 4.865979 -2.772805 0.020445
C -1.083032 -3.204448 -0.455933
C -5.006249 -1.006241 -1.268520
C 0.252797 -3.601214 -0.533616
C -4.997554 0.302614 -0.641974
C -3.938016 0.667691 0.228241
C 3.953876 1.199673 0.110032
C 5.153548 0.112201 1.932021
C -6.019388 1.267579 -0.841847
C -3.870183 1.918633 0.856664
C 4.840447 2.267904 0.158914
C 6.064876 1.181724 1.983008
C -4.909927 2.825405 0.606708
C -5.993921 2.527551 -0.233619
C 5.913550 2.251513 1.108075
C 3.762080 3.488905 -1.613244
H 3.055644 -1.574327 1.907370
H 3.516629 -1.528686 -1.193873
H -3.404430 -2.125695 0.864925
H -3.012090 -1.322308 -2.138773
H -0.687804 0.007316 0.700535
H 4.846265 -3.760912 -0.489704
H 5.108014 -2.917785 1.086436
H -1.873824 -3.903233 -0.753893
H 0.530641 -4.597325 -0.874885
H 3.114020 1.183495 -0.585662
H 5.269407 -0.710698 2.635453
H -3.038605 2.147857 1.513518
H -4.738502 -3.298897 -1.757477
H 6.873550 1.168656 2.709596
H -6.772640 3.266444 -0.388059
H 6.079387 -1.202759 -0.211661
H -7.709164 1.623199 -1.785977
H -4.151227 4.232654 1.760627
H 7.455509 3.274440 1.763282
H 3.983873 4.462342 -2.071814
H 2.784101 3.499086 -1.123762
H 3.846984 2.681964 -2.346407


%chk=000187901-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187901

0 1
O 1.895355 -0.359671 0.533541
O 2.532575 -3.188485 0.271524
O -3.091366 -0.146655 0.603704
O -3.086448 -2.148627 -2.556665
O 6.055236 -2.150907 -0.095789
O -5.407138 -0.886159 -2.763050
O -7.115024 1.136753 -1.879274
O 5.223877 3.068430 -1.275566
O -6.052204 3.247660 2.319740
O 7.082829 3.301268 0.626635
C 3.193161 -0.919274 1.004732
C 3.567653 -2.133732 0.114483
C -2.895355 -1.365272 -0.247944
C -1.469138 -1.826226 -0.050382
C -3.239040 -0.988802 -1.708357
C 0.897207 -1.332140 0.294167
C 1.206816 -2.713560 0.181583
C 4.207486 0.202570 0.951027
C -0.432342 -0.891793 0.168754
C 4.895903 -2.813744 0.496422
C -1.161407 -3.207370 -0.130413
C -4.698977 -0.469264 -1.793873
C 0.172384 -3.647496 -0.022374
C -5.102095 0.455044 -0.732107
C -4.251995 0.600500 0.417507
C 4.201877 1.102177 -0.146304
C 5.185713 0.343381 1.959702
C -6.283640 1.270081 -0.772460
C -4.535013 1.518475 1.447240
C 5.159689 2.132836 -0.244557
C 6.158972 1.367534 1.863178
C -5.696480 2.313156 1.345469
C -6.578268 2.193553 0.247777
C 6.156514 2.263051 0.774387
C 4.223434 2.960141 -2.343292
H 3.062105 -1.285254 2.044256
H 3.606421 -1.814537 -0.946777
H -3.609922 -2.141377 0.093761
H -2.556595 -0.172611 -2.034496
H -0.649114 0.174623 0.275242
H 4.890096 -3.830363 0.073017
H 4.983447 -2.895461 1.601232
H -1.959171 -3.933564 -0.313844
H 0.432090 -4.707027 -0.105574
H 3.415484 0.999933 -0.898375
H 5.187527 -0.324556 2.828344
H -3.857950 1.575848 2.305497
H -3.905701 -2.163437 -3.137411
H 6.916125 1.475801 2.650351
H -7.472473 2.824509 0.215120
H 6.147323 -1.245730 0.300833
H -7.874478 1.771549 -1.823994
H -5.385553 3.277495 3.050485
H 7.723684 3.302896 1.381279
H 4.460634 3.779966 -3.036112
H 3.197767 3.087723 -1.946735
H 4.302504 1.989143 -2.869164


