%chk=000261701.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261701

0 1
O 3.634413 -2.370211 0.236656
O 3.085053 2.749422 -1.719610
C -0.024131 0.265720 0.365409
C 1.138801 -0.574457 1.026889
C 0.919970 1.516366 0.182456
C 2.242531 -0.526567 -0.078107
C 2.093112 0.920220 -0.660850
C 1.580455 0.335693 2.205330
C 1.423682 1.767069 1.629280
C -1.215058 0.468211 1.325786
C -0.564848 -0.296294 -0.967564
C 3.634262 -0.927629 0.405045
C 3.354812 1.780303 -0.672939
C -2.357545 1.301765 0.811790
C -1.071261 -1.708936 -0.864222
C -3.674786 0.850723 1.010401
C -0.178564 -2.791208 -0.931411
C -2.151166 2.540578 0.185766
C -2.445448 -1.961034 -0.729114
C 4.838521 -3.002972 0.699696
C 4.141307 3.706809 -1.900577
C -4.758385 1.621363 0.583349
C -0.652641 -4.101927 -0.853226
C -3.237343 3.307745 -0.241912
C -2.916055 -3.274602 -0.652643
C -4.544319 2.851859 -0.045668
C -2.022591 -4.348225 -0.712729
H 0.874861 -1.595331 1.327374
H 0.456003 2.397235 -0.284626
H 1.965855 -1.272238 -0.875441
H 1.754211 0.842970 -1.727521
H 2.616434 0.124779 2.516893
H 0.952353 0.176033 3.094038
H 0.702701 2.367230 2.204658
H 2.373618 2.325717 1.640234
H -0.880072 0.922817 2.282818
H -1.581025 -0.544850 1.607374
H 0.203282 -0.239296 -1.767684
H -1.372122 0.375927 -1.333134
H 3.815549 -0.680665 1.466869
H 4.439992 -0.503149 -0.221245
H 3.529344 2.310928 0.280885
H 4.255033 1.201768 -0.950520
H -3.854489 -0.103700 1.501909
H 0.895003 -2.605263 -1.038884
H -1.134199 2.907196 0.025875
H -3.148173 -1.129540 -0.687693
H 4.972013 -2.843051 1.773373
H 4.648465 -4.063043 0.488889
H 5.704991 -2.647799 0.134820
H 3.758752 4.333684 -2.716100
H 5.068090 3.209599 -2.200568
H 4.285463 4.301241 -0.993998
H -5.773795 1.261923 0.741641
H 0.047766 -4.933916 -0.902669
H -3.063554 4.265656 -0.729493
H -3.983220 -3.461276 -0.548601
H -5.388509 3.450030 -0.378883
H -2.390297 -5.369298 -0.653268


%chk=000261701-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261701

0 1
O 3.674929 -2.336973 0.714262
O 2.963163 3.043070 -1.487710
C 0.058335 0.184024 0.291379
C 1.281805 -0.557849 0.967062
C 0.933987 1.467627 -0.015604
C 2.331587 -0.562424 -0.191342
C 2.129976 0.872119 -0.841798
C 1.733415 0.461219 2.060471
C 1.450025 1.858977 1.397000
C -1.120130 0.380966 1.305793
C -0.521830 -0.467811 -1.012108
C 3.756523 -0.959691 0.207281
C 3.379628 1.757938 -0.913190
C -2.297000 1.251973 0.868482
C -1.183302 -1.839483 -0.878573
C -3.600082 0.694799 0.774305
C -0.444174 -3.004963 -0.533388
C -2.153551 2.644022 0.615282
C -2.563744 -1.995256 -1.174206
C 4.980349 -2.863801 1.101468
C 4.082401 3.968706 -1.637764
C -4.717148 1.488030 0.427041
C -1.067977 -4.271023 -0.469941
C -3.265406 3.440941 0.262556
C -3.191585 -3.260201 -1.114971
C -4.554237 2.867039 0.163594
C -2.446091 -4.406309 -0.757127
H 1.080751 -1.561280 1.371181
H 0.431951 2.282301 -0.558618
H 2.030585 -1.329394 -0.929675
H 1.802021 0.755493 -1.892260
H 2.795570 0.329362 2.330312
H 1.162261 0.323319 2.995383
H 0.686900 2.428251 1.957567
H 2.342365 2.505133 1.351349
H -0.724851 0.789399 2.252430
H -1.502908 -0.629175 1.548182
H 0.266712 -0.540648 -1.781554
H -1.267158 0.243236 -1.417466
H 4.191886 -0.300112 0.989739
H 4.433035 -0.929863 -0.677519
H 3.845840 1.927664 0.082777
H 4.148487 1.289225 -1.569610
H -3.737419 -0.372850 0.982975
H 0.629322 -2.934628 -0.328662
H -1.169609 3.115317 0.708378
H -3.148140 -1.113263 -1.462131
H 5.439841 -2.259735 1.913466
H 4.807762 -3.889552 1.463871
H 5.681709 -2.891624 0.239453
H 3.668083 4.891562 -2.073514
H 4.862661 3.559804 -2.315865
H 4.552391 4.203212 -0.657886
H -5.711771 1.030956 0.366485
H -0.474675 -5.153785 -0.204236
H -3.127416 4.511931 0.073107
H -4.257864 -3.350436 -1.353421
H -5.417291 3.486312 -0.106017
H -2.927796 -5.389697 -0.711875


