%chk=000227873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227873

0 1
O 0.074849 0.240912 -0.318945
O 1.030810 -0.018849 1.709776
C -1.268542 0.340001 0.282531
C -2.056221 1.130751 -0.765709
C -1.791570 -1.085291 0.483248
C -3.547278 1.140985 -0.408089
C -3.285149 -1.058298 0.828088
C -4.089296 -0.284119 -0.226260
C 2.410863 -0.035811 -0.340855
C 1.154954 0.052734 0.509142
C 3.024722 -1.438766 -0.173151
C 3.392249 1.066644 0.098629
C 2.149172 -2.525736 -0.787983
C 2.881112 2.461806 -0.245187
H -1.172205 0.884718 1.245739
H -1.898672 0.677605 -1.765040
H -1.662360 2.161038 -0.840318
H -1.215490 -1.585151 1.286401
H -1.616547 -1.678526 -0.434966
H -4.116259 1.663292 -1.200150
H -3.707779 1.724989 0.519035
H -3.431245 -0.599026 1.825367
H -3.667724 -2.092972 0.910837
H -5.155298 -0.247078 0.065467
H -4.053692 -0.823100 -1.192696
H 2.133400 0.120822 -1.415687
H 4.027928 -1.455809 -0.643528
H 3.190553 -1.648971 0.904264
H 3.576844 0.989723 1.190898
H 4.372866 0.896740 -0.388550
H 2.598241 -3.516805 -0.654466
H 2.003686 -2.372245 -1.863807
H 1.153166 -2.554874 -0.327896
H 2.707238 2.579990 -1.321062
H 1.935087 2.685131 0.264165
H 3.600886 3.231146 0.058260


%chk=000227873-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227873

0 1
O 0.078632 0.215569 -0.501445
O 1.016974 -0.007935 1.625068
C -1.296020 0.302195 0.104713
C -2.159097 1.087575 -0.891441
C -1.845635 -1.112393 0.363797
C -3.621080 1.170339 -0.383651
C -3.306615 -1.029965 0.874808
C -4.203024 -0.237580 -0.107274
C 2.481293 -0.031798 -0.365690
C 1.152067 0.054919 0.378266
C 3.100593 -1.445075 -0.158609
C 3.441060 1.079669 0.144922
C 2.250199 -2.591564 -0.745745
C 2.938870 2.512151 -0.133638
H -1.201089 0.844559 1.066338
H -2.131953 0.571898 -1.871537
H -1.735705 2.098324 -1.039341
H -1.205815 -1.633480 1.098648
H -1.813185 -1.684524 -0.584941
H -4.242187 1.706095 -1.126328
H -3.653734 1.768127 0.550632
H -3.320033 -0.532762 1.866560
H -3.705514 -2.051002 1.025540
H -5.229683 -0.152259 0.297926
H -4.279553 -0.795737 -1.063327
H 2.276804 0.121997 -1.442146
H 4.102878 -1.446175 -0.630621
H 3.253735 -1.604533 0.926509
H 3.591340 0.938525 1.232741
H 4.424943 0.928397 -0.341586
H 2.747948 -3.566990 -0.596339
H 2.088265 -2.453423 -1.831098
H 1.256867 -2.644677 -0.263160
H 2.773509 2.675894 -1.215017
H 1.984795 2.711819 0.388257
H 3.672447 3.261419 0.215711


