%chk=000221264.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221264

0 1
O -3.970244 2.033825 0.101000
O -2.233626 -2.515658 1.694738
C -1.591140 2.385661 0.373284
C -0.814685 -2.782932 -0.283235
C -0.170962 1.909402 0.049064
C 0.299391 -1.944575 0.355524
C -2.680935 1.642226 -0.435792
C -2.213411 -2.387032 0.252022
C 0.859165 2.602074 0.950844
C 1.678383 -2.344819 -0.180295
C 2.299478 2.171433 0.649530
C 2.792638 -1.508171 0.459943
C -2.648208 1.965115 -1.933783
C -3.318119 -3.270954 -0.337727
C 2.834161 2.748229 -0.668176
C 4.162695 -1.835066 -0.148964
C -2.605050 0.206256 -0.197972
C -2.470725 -0.972980 0.009609
C 4.333380 2.503575 -0.823180
C 5.248391 -0.891380 0.361570
H -1.678283 3.473502 0.201830
H -1.806220 2.233832 1.452831
H -0.634908 -3.857084 -0.094285
H -0.799538 -2.663662 -1.383632
H -0.097323 0.802485 0.176360
H 0.062932 2.105957 -1.014278
H 0.258789 -2.057168 1.458082
H 0.118438 -0.858823 0.170114
H 0.768084 3.701362 0.854115
H 0.629517 2.376999 2.011934
H 1.862424 -3.419954 0.008309
H 1.702376 -2.223750 -1.280836
H 2.368297 1.056721 0.621902
H 2.952909 2.487247 1.486059
H 2.572532 -0.419869 0.334739
H 2.815383 -1.679180 1.552997
H -1.781282 1.507366 -2.424467
H -3.547973 1.577077 -2.429927
H -2.600530 3.041614 -2.121489
H -4.276523 -3.059574 0.159269
H -3.461440 -3.081617 -1.407331
H -3.110517 -4.336548 -0.209733
H 2.627134 3.835132 -0.718039
H 2.289157 2.298760 -1.520985
H 4.109703 -1.775330 -1.253973
H 4.435330 -2.883036 0.083620
H -4.160381 2.967404 -0.103484
H -2.043927 -3.435246 1.958222
H 4.590055 1.440580 -0.665024
H 4.913708 3.087603 -0.100401
H 4.680780 2.779119 -1.824319
H 5.315358 -0.902426 1.454883
H 5.049038 0.150797 0.053526
H 6.232726 -1.166921 -0.031389


%chk=000221264-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221264

0 1
O -4.177351 1.963764 -0.472261
O -1.962310 -2.287649 2.014470
C -1.851701 2.600814 0.114481
C -0.804253 -2.871028 -0.115780
C -0.336156 2.306168 0.085734
C 0.454894 -2.045509 0.215911
C -2.740229 1.627253 -0.720240
C -2.114857 -2.317720 0.525811
C 0.473772 3.290788 0.961578
C 1.750399 -2.662000 -0.355568
C 1.967949 2.912058 1.108923
C 3.007885 -1.824477 -0.028938
C -2.459497 1.733722 -2.241843
C -3.331939 -3.203954 0.157208
C 2.770877 2.933325 -0.213897
C 4.309951 -2.414596 -0.616370
C -2.567021 0.234576 -0.260277
C -2.358339 -0.920113 0.114483
C 4.272465 2.642759 -0.001372
C 5.560422 -1.575714 -0.274554
H -2.034714 3.631533 -0.261979
H -2.214259 2.565158 1.159690
H -0.671833 -3.916082 0.238102
H -0.942084 -2.920334 -1.214433
H -0.165508 1.274306 0.451608
H 0.036469 2.344760 -0.956279
H 0.537288 -1.942450 1.315663
H 0.331307 -1.020252 -0.186325
H 0.393595 4.315297 0.540556
H 0.013342 3.329350 1.970308
H 1.882736 -3.689373 0.045521
H 1.658066 -2.768509 -1.457342
H 2.044058 1.901372 1.562511
H 2.448533 3.611386 1.824106
H 2.870372 -0.790876 -0.412751
H 3.111028 -1.733939 1.072771
H -1.440642 1.391373 -2.492292
H -3.184216 1.113344 -2.794819
H -2.565125 2.784350 -2.574027
H -4.234849 -2.834588 0.670938
H -3.517550 -3.191942 -0.930938
H -3.147707 -4.252183 0.463817
H 2.648182 3.925233 -0.696382
H 2.352201 2.188267 -0.919252
H 4.207671 -2.496442 -1.717982
H 4.443232 -3.449470 -0.239385
H -4.295399 2.924454 -0.697304
H -1.907339 -3.231609 2.320115
H 4.421138 1.644161 0.452078
H 4.727753 3.388841 0.677238
H 4.830686 2.668074 -0.955674
H 5.705967 -1.509967 0.820474
H 5.462735 -0.543297 -0.661260
H 6.476308 -2.014816 -0.711370


