%chk=000256420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256420

0 1
O -0.101169 0.322964 0.059169
O -4.607883 -1.612063 0.706053
O -1.240750 2.440885 -1.025722
O -5.616162 0.563039 -0.041964
O -4.183805 2.531368 -1.155739
O 2.491436 -2.744675 0.864971
O -2.005896 -2.604273 2.155209
O 4.277245 2.367750 -0.352784
O 6.147692 0.134937 -0.057317
C -2.233268 -0.772239 0.634935
C -1.484824 0.287234 0.071683
C 0.612942 -0.728996 0.653610
C -3.640797 -0.706762 0.455418
C -2.045893 1.409115 -0.563532
C 2.038874 -0.480977 0.467842
C -1.489842 -1.782675 1.417502
C -4.238500 0.460334 -0.108362
C -3.457157 1.515611 -0.624038
C -0.027860 -1.723566 1.287901
C 3.009260 -1.513944 0.575739
C 2.489898 0.820820 0.176938
C 3.842610 1.095228 0.009894
C 4.373414 -1.259870 0.391994
C 4.800448 0.047004 0.109424
C -4.325449 -2.967063 1.144346
C -0.474655 2.088820 -2.214067
C -6.277084 0.364782 -1.323590
C -3.479832 3.718238 -1.620634
C 3.400722 -3.871849 0.977299
C 3.966675 3.401082 0.620885
C 6.730425 1.428269 -0.380988
H 0.520253 -2.539477 1.771160
H 1.756577 1.632087 0.082154
H 5.122410 -2.044843 0.462011
H -3.541675 -3.425327 0.538085
H -4.045153 -2.951714 2.208181
H -5.300852 -3.442833 0.987046
H -1.141064 1.785934 -3.023542
H 0.239559 1.294316 -1.969706
H 0.039943 3.027752 -2.440245
H -5.972318 1.150701 -2.020667
H -7.332060 0.463032 -1.046450
H -6.058138 -0.632579 -1.709458
H -4.313190 4.408175 -1.796753
H -2.798137 4.089592 -0.846175
H -2.935756 3.483100 -2.538494
H 2.702025 -4.690319 1.201780
H 4.100031 -3.713094 1.803225
H 3.913898 -4.041549 0.026521
H 4.386227 3.146226 1.596948
H 2.884838 3.550255 0.681000
H 4.458541 4.279029 0.187025
H 6.611807 2.107733 0.467191
H 6.261075 1.841794 -1.281811
H 7.779643 1.160081 -0.550501


%chk=000256420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256420

0 1
O 0.161800 0.307122 -0.010501
O -4.467605 -1.422426 0.673795
O -0.822247 2.605628 -0.919827
O -5.379102 0.981682 -0.455005
O -3.606050 2.959599 -1.232390
O 2.695725 -2.782222 1.550320
O -2.048615 -2.813080 1.618961
O 4.695126 2.138861 -0.398499
O 6.479075 0.031813 0.539344
C -2.076497 -0.691266 0.382043
C -1.234252 0.368409 -0.071790
C 0.806742 -0.782932 0.600703
C -3.496752 -0.513677 0.236699
C -1.734899 1.588507 -0.595697
C 2.265687 -0.600728 0.582803
C -1.414077 -1.842100 1.071154
C -4.015184 0.698952 -0.300012
C -3.135921 1.761154 -0.677674
C 0.046335 -1.807829 1.122511
C 3.203519 -1.575971 1.050545
C 2.789056 0.626821 0.085366
C 4.164378 0.907790 0.038287
C 4.587263 -1.309263 0.984775
C 5.089208 -0.089246 0.481888
C -4.484310 -2.790611 0.103774
C -0.832849 3.046629 -2.334333
C -6.293335 -0.062724 -0.957230
C -4.504773 3.773003 -0.377472
C 3.646263 -3.787430 2.036348
C 3.735643 3.171146 -0.802143
C 7.205728 0.859591 -0.445717
H 0.545566 -2.642553 1.610536
H 2.062727 1.371751 -0.245862
H 5.329309 -2.038462 1.317407
H -4.402613 -2.748511 -1.000296
H -3.664060 -3.376990 0.546220
H -5.463347 -3.202234 0.396009
H -1.827055 3.435957 -2.609779
H -0.548535 2.208122 -2.998970
H -0.077067 3.845459 -2.391459
H -5.817593 -0.647279 -1.767225
H -7.156770 0.493282 -1.356820
H -6.600886 -0.733460 -0.141080
H -4.763571 4.649397 -0.990641
H -5.407257 3.198628 -0.114643
H -3.965971 4.092913 0.533737
H 3.020884 -4.623775 2.380906
H 4.246411 -3.395286 2.879211
H 4.315907 -4.129394 1.224371
H 3.060909 3.440120 0.032708
H 3.132391 2.842578 -1.670824
H 4.350842 4.039305 -1.081539
H 7.022082 1.930768 -0.275672
H 6.907087 0.592788 -1.475925
H 8.264829 0.608274 -0.280797


