%chk=000263071.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263071

0 1
O -5.548582 -0.749127 1.257759
O 3.073526 -4.347761 0.492686
O 1.838142 5.222334 -1.063740
O -3.677313 -2.242802 -2.221383
O 3.088924 -1.907748 -2.950997
O 4.206398 3.933439 0.754138
O -5.574256 -2.105216 -1.038931
O 3.900824 -3.751088 -1.968505
O 4.561071 2.923891 -1.214115
C -0.099809 0.294756 0.318820
C -1.538208 0.012478 0.527203
C 0.759290 -0.908909 0.330067
C 0.384442 1.551541 0.125886
C -2.186763 0.504414 1.691032
C 0.756421 -1.753161 1.473244
C -2.242876 -0.750056 -0.393100
C 1.537012 -1.236260 -0.772177
C -0.496511 2.717589 -0.012176
C 1.826774 1.815213 0.041697
C -3.523965 0.245208 1.934127
C 1.532264 -2.897023 1.527218
C -0.040393 3.939894 -0.344289
C -3.612423 -1.026986 -0.184034
C 2.337503 -2.399417 -0.756550
C -4.248272 -0.533040 0.975350
C 2.337135 -3.224442 0.389006
C 2.310961 3.027862 -0.286969
C 1.416771 4.182399 -0.609085
C -4.215147 0.740524 3.157530
C 1.538059 -3.788552 2.721170
C -0.925237 5.129167 -0.479535
C -4.388012 -1.814236 -1.136251
C 3.170838 -2.769487 -1.896323
C 3.772590 3.263476 -0.365852
H -1.608670 1.097534 2.405167
H 0.125161 -1.483276 2.324264
H -1.757477 -1.144865 -1.292021
H 1.543691 -0.608270 -1.670510
H -1.565062 2.549580 0.148678
H 2.502965 0.984357 0.278962
H -4.026185 0.077372 4.015437
H -3.891978 1.751010 3.440218
H -5.309841 0.775288 3.022793
H 0.621998 -4.396577 2.767710
H 2.385496 -4.494929 2.702765
H 1.611339 -3.222987 3.659757
H -1.917521 4.877903 -0.874571
H -0.484642 5.885403 -1.154525
H -1.067809 5.626628 0.492041
H -6.032439 -1.310560 0.536976
H 3.642255 -4.539866 -0.350722
H -4.242971 -2.777798 -2.851204
H 3.688037 -2.179077 -3.706814
H 5.176778 4.155552 0.712076


%chk=000263071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000263071

0 1
O -5.651942 -0.568141 1.630602
O 3.149085 -4.419648 -0.098133
O 1.937716 5.358319 -0.695960
O -3.725575 -3.221974 -1.063079
O 3.685371 -1.219283 -2.824780
O 4.210888 4.466731 0.673986
O -5.657187 -2.622936 0.061871
O 4.365277 -3.303346 -2.080638
O 4.605244 2.217088 0.302345
C -0.150349 0.226560 0.296671
C -1.579545 0.004908 0.622420
C 0.713434 -0.967560 0.165906
C 0.369195 1.534135 0.106611
C -2.276661 0.868068 1.532697
C 0.544364 -2.098138 1.034357
C -2.290502 -1.083680 0.068677
C 1.719147 -1.041929 -0.826935
C -0.484084 2.671956 -0.217472
C 1.787373 1.802617 0.235118
C -3.624484 0.687937 1.880442
C 1.347234 -3.245957 0.963538
C 0.016703 3.934024 -0.459074
C -3.655940 -1.294472 0.381122
C 2.542092 -2.187440 -0.941734
C -4.329970 -0.404758 1.288376
C 2.366357 -3.291731 -0.038115
C 2.333055 3.065869 0.060878
C 1.482454 4.208203 -0.371959
C -4.342130 1.592547 2.856237
C 1.182252 -4.415983 1.906774
C -0.858130 5.089604 -0.880378
C -4.425524 -2.400556 -0.196224
C 3.586687 -2.295937 -1.966433
C 3.795937 3.183902 0.328444
H -1.721290 1.687380 2.002792
H -0.228225 -2.051600 1.810222
H -1.802682 -1.766972 -0.632029
H 1.854168 -0.227519 -1.543766
H -1.557539 2.493515 -0.348613
H 2.458701 0.999210 0.556767
H -4.753473 1.014100 3.703116
H -3.666574 2.369032 3.251248
H -5.205670 2.086671 2.374738
H 0.990787 -5.349980 1.348114
H 2.107059 -4.589253 2.486617
H 0.350804 -4.246062 2.610512
H -1.922823 4.802701 -0.915787
H -0.551475 5.467823 -1.872719
H -0.733861 5.942148 -0.187553
H -6.016881 -1.385368 1.135221
H 3.830565 -4.300044 -0.854154
H -4.328393 -3.937149 -1.402356
H 4.438280 -1.359881 -3.459467
H 5.194982 4.443549 0.830340


