%chk=000254173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254173

0 1
O 2.554684 2.062886 1.184191
O -3.920667 -0.873363 -1.512571
O -4.183673 -2.074619 1.153692
O 5.127381 -1.751801 -0.038842
O -1.675257 2.856141 -2.512252
O -1.153078 3.920502 -0.613975
C 0.298396 1.237815 -0.101141
C 1.554728 0.398747 -0.113539
C -0.919713 0.371597 0.162333
C 0.237584 2.049755 -1.412758
C 2.721159 0.848713 0.564022
C -1.873583 0.087171 -0.820385
C 1.619892 -0.822307 -0.785300
C -1.069401 -0.167584 1.454118
C -2.978942 -0.714753 -0.505241
C 3.903121 0.110698 0.574569
C -0.883587 3.042009 -1.396033
C -2.172229 -0.956545 1.776901
C 2.787864 -1.593963 -0.801808
C -3.138282 -1.226405 0.799312
C 3.912262 -1.115881 -0.118980
C 3.668147 2.606535 1.937373
C -4.214767 -2.255949 -1.853673
C -5.479875 -1.413738 1.173511
C 5.270604 -3.031645 -0.703742
H 0.367176 1.984803 0.746066
H 1.198996 2.598711 -1.543345
H 0.159528 1.375243 -2.293492
H -1.796278 0.482982 -1.835483
H 0.733476 -1.190661 -1.309341
H -0.314685 0.036602 2.214141
H 4.801317 0.435980 1.086776
H -2.299450 -1.368351 2.777415
H 2.800673 -2.538196 -1.331496
H 3.242636 3.547100 2.312337
H 4.517445 2.794335 1.274220
H 3.932142 1.936406 2.760548
H -2.447738 3.479020 -2.548606
H -4.473936 -2.836017 -0.960088
H -3.350556 -2.685314 -2.367324
H -5.069402 -2.150349 -2.529962
H -5.689307 -0.951258 0.202543
H -5.496439 -0.672876 1.977352
H -6.161374 -2.244428 1.382900
H 5.127727 -2.916659 -1.781971
H 6.311406 -3.290429 -0.468994
H 4.577975 -3.761456 -0.274578


%chk=000254173-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254173

0 1
O 2.752259 2.267685 0.818333
O -3.798132 -1.091329 -1.664409
O -4.464149 -2.086569 1.012241
O 5.216397 -1.771881 -0.259165
O -1.589444 3.433522 -2.050775
O -1.304046 3.754405 0.230042
C 0.259234 1.184338 0.201900
C 1.537751 0.343665 0.069961
C -1.000936 0.329518 0.362980
C 0.185738 2.193290 -0.983084
C 2.803919 0.927975 0.388546
C -1.845342 -0.008249 -0.722128
C 1.541077 -0.992027 -0.376672
C -1.322696 -0.180475 1.647363
C -2.987394 -0.817169 -0.534939
C 4.003864 0.200643 0.271461
C -0.948788 3.183574 -0.824410
C -2.470383 -0.973428 1.848366
C 2.730350 -1.748369 -0.510337
C -3.322960 -1.283884 0.766639
C 3.962677 -1.141401 -0.180693
C 4.005343 2.904582 1.230149
C -3.904630 -2.526800 -2.012586
C -5.755564 -1.407453 0.752518
C 5.239750 -3.163632 -0.713398
H 0.364064 1.803041 1.114088
H 1.129330 2.771127 -0.985677
H 0.104995 1.685719 -1.957482
H -1.646642 0.343803 -1.739625
H 0.582715 -1.465928 -0.613093
H -0.675771 0.062398 2.498185
H 4.978396 0.630471 0.515890
H -2.738194 -1.349001 2.841235
H 2.676232 -2.784138 -0.855847
H 3.720332 3.916541 1.553205
H 4.719997 2.966990 0.386785
H 4.472896 2.358859 2.072078
H -2.321083 4.093938 -1.904399
H -4.297208 -3.113321 -1.162413
H -2.913831 -2.919062 -2.312246
H -4.597466 -2.570708 -2.866856
H -5.814741 -1.055929 -0.293482
H -5.879056 -0.550972 1.442162
H -6.530122 -2.163933 0.951376
H 4.841946 -3.258236 -1.742625
H 6.300612 -3.453883 -0.697519
H 4.662803 -3.819104 -0.032246


