%chk=000220042.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220042

0 1
O 0.792046 2.393073 0.454643
O 2.480091 -2.001599 0.375310
O 1.614854 1.579442 -1.481953
O 3.726001 -0.156252 -0.002247
C 0.106224 -0.798624 -0.109080
C 1.302751 0.060630 0.434571
C -1.225435 -0.036751 0.044857
C 1.168549 0.249411 1.967736
C -2.424735 -0.991266 0.086812
C 0.338799 -1.214627 -1.562510
C 1.297760 1.385579 -0.332911
C 2.643445 -0.645014 0.207684
C -3.746583 -0.222586 0.219079
C 2.295713 1.063940 2.589359
C -4.946676 -1.177504 0.268315
C -6.270284 -0.410800 0.399640
C 0.643216 3.718077 -0.151691
C 3.663849 -2.852132 0.231631
C -7.468143 -1.356605 0.449716
C -0.601575 3.751520 -1.013591
C 3.994809 -3.032971 -1.234452
H 0.076330 -1.726691 0.519499
H -1.208380 0.581591 0.967711
H -1.345861 0.686452 -0.785948
H 1.113127 -0.750502 2.444901
H 0.194574 0.749557 2.172169
H -2.443049 -1.614749 -0.828818
H -2.315615 -1.699426 0.931059
H 0.577659 -0.359245 -2.211459
H -0.548939 -1.700615 -1.982262
H 1.170410 -1.926697 -1.645711
H -3.728215 0.405574 1.130485
H -3.859870 0.479998 -0.629063
H 3.286911 0.637401 2.389572
H 2.179793 1.128312 3.677125
H 2.304634 2.092802 2.200129
H -4.835955 -1.881114 1.115673
H -4.967231 -1.806371 -0.642497
H -6.384337 0.291354 -0.449374
H -6.252469 0.217720 1.311461
H 1.561575 3.950394 -0.720751
H 0.567518 4.349534 0.751987
H 3.309886 -3.778626 0.719100
H 4.493813 -2.397152 0.801260
H -7.538099 -1.968052 -0.457131
H -8.407845 -0.800894 0.543516
H -7.406167 -2.042192 1.302463
H -0.480602 3.121123 -1.907802
H -1.480204 3.382729 -0.469844
H -0.822755 4.768700 -1.358065
H 3.133004 -3.400431 -1.805142
H 4.303729 -2.078939 -1.691161
H 4.817856 -3.743389 -1.375602


%chk=000220042-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220042

0 1
O 0.879952 2.510925 0.456306
O 2.636276 -1.904634 0.495680
O 1.466554 1.598978 -1.597815
O 3.679950 -0.025586 -0.398862
C 0.090677 -0.787411 -0.136293
C 1.307345 0.106216 0.380342
C -1.273941 -0.062075 0.041331
C 1.242765 0.254764 1.941906
C -2.493246 -1.012981 -0.000530
C 0.276270 -1.274427 -1.593064
C 1.260398 1.451820 -0.372726
C 2.658238 -0.570990 0.067900
C -3.832530 -0.271283 0.214223
C 2.483237 0.897926 2.598698
C -5.061857 -1.207153 0.187098
C -6.400245 -0.463484 0.400557
C 0.745901 3.848842 -0.202090
C 3.912313 -2.670582 0.340436
C -7.623841 -1.404925 0.377105
C -0.635945 4.013956 -0.841214
C 4.023311 -3.270069 -1.064103
H 0.099424 -1.675400 0.527379
H -1.298478 0.479874 1.006406
H -1.386637 0.705896 -0.752076
H 1.092105 -0.760922 2.354137
H 0.355232 0.857619 2.195822
H -2.531354 -1.547193 -0.970621
H -2.375853 -1.791878 0.782087
H 0.339314 -0.424217 -2.293548
H -0.573607 -1.913432 -1.892009
H 1.195126 -1.875885 -1.703458
H -3.802592 0.266229 1.185449
H -3.948476 0.508206 -0.567972
H 3.394817 0.291721 2.447966
H 2.323021 0.994149 3.688034
H 2.669547 1.905900 2.191598
H -4.947868 -1.986865 0.969285
H -5.093812 -1.744640 -0.783855
H -6.513935 0.312900 -0.383588
H -6.365785 0.076607 1.368940
H 1.549250 3.948920 -0.952836
H 0.906033 4.557427 0.626393
H 3.842567 -3.446864 1.119426
H 4.756050 -1.989968 0.551465
H -7.697665 -1.934489 -0.591608
H -8.567153 -0.849088 0.530819
H -7.549195 -2.170934 1.172041
H -0.762165 3.316318 -1.685682
H -1.436879 3.836405 -0.102584
H -0.744307 5.044818 -1.226926
H 3.152367 -3.908962 -1.291847
H 4.094376 -2.474151 -1.824045
H 4.934855 -3.892830 -1.131079


