%chk=000235985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235985

0 1
O -0.332747 0.978536 -1.999236
O -5.166927 0.787952 0.178374
O 5.393913 -0.561303 1.080872
C 0.171157 0.190259 -0.853755
C -0.697266 -1.055884 -0.638307
C -0.478888 1.558928 -0.668109
C -2.717236 0.470094 -0.173553
C -1.837395 -0.714159 0.338090
C 1.718639 0.110214 -0.819597
C -1.873502 1.755974 -0.115795
C -3.941675 0.385544 0.816881
C -2.845198 -1.842144 0.633507
C 0.068582 -2.291898 -0.147709
C -4.135905 -1.130506 1.080873
C 2.259342 -1.276630 -0.490235
C 2.246320 1.097315 0.255147
C 1.399003 -2.435821 -0.889585
C -3.227884 0.266297 -1.604637
C 2.250520 0.472569 -2.218915
C -3.793521 1.194797 2.104220
C 3.775044 1.072471 0.395393
C 3.438968 -1.454682 0.124174
C 4.303250 -0.351931 0.591231
C 4.236881 1.970197 1.542116
H -1.135020 -1.300461 -1.645116
H 0.170852 2.435938 -0.533538
H -1.371686 -0.406903 1.308228
H -1.782090 2.125681 0.925207
H -2.376677 2.564698 -0.684605
H -2.471044 -2.526695 1.410856
H -3.030065 -2.458865 -0.263191
H -0.551299 -3.196778 -0.299089
H 0.252532 -2.234309 0.944147
H -5.014441 -1.484477 0.506201
H -4.367290 -1.331235 2.138032
H 1.777141 0.854570 1.229161
H 1.930442 2.131026 0.008934
H 1.242963 -2.443186 -1.988885
H 1.874093 -3.408437 -0.652240
H -3.724706 -0.702196 -1.725440
H -3.964257 1.028674 -1.881238
H -2.404762 0.326153 -2.333465
H 3.341344 0.408404 -2.275350
H 1.830834 -0.190216 -2.986285
H 1.950697 1.490977 -2.502332
H -3.651126 2.262708 1.913443
H -4.701698 1.101333 2.716037
H -2.952871 0.843495 2.711754
H 4.235158 1.445078 -0.558631
H 3.840491 -2.448518 0.332062
H -5.158233 1.736865 -0.038481
H 3.756114 1.705829 2.490842
H 5.322154 1.864484 1.700143
H 4.029174 3.025275 1.340395


%chk=000235985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235985

0 1
O -0.269878 1.256118 -1.731942
O -5.266187 1.027901 0.298412
O 5.287900 -0.331338 1.689821
C 0.195519 0.247829 -0.680748
C -0.699940 -1.027436 -0.639960
C -0.447120 1.565163 -0.268226
C -2.788908 0.513380 -0.129568
C -1.992068 -0.785754 0.184141
C 1.769430 0.107318 -0.734783
C -1.879050 1.710200 0.239304
C -4.072786 0.294616 0.783449
C -3.059849 -1.912875 0.143474
C 0.003878 -2.275699 -0.041654
C -4.389150 -1.221447 0.585315
C 2.261459 -1.226833 -0.159013
C 2.456544 1.287923 0.014897
C 1.457714 -2.452707 -0.521462
C -3.243922 0.602819 -1.611546
C 2.184701 0.120012 -2.249228
C -3.876884 0.646599 2.275607
C 3.985714 1.130667 0.195088
C 3.396159 -1.324923 0.604806
C 4.291187 -0.192227 0.915510
C 4.618241 2.342185 0.906657
H -0.970389 -1.253705 -1.692395
H 0.214547 2.375030 0.063306
H -1.648747 -0.687889 1.239022
H -1.810388 1.821011 1.339966
H -2.287499 2.663596 -0.155679
H -2.796551 -2.758463 0.802584
H -3.147633 -2.318023 -0.882756
H -0.588072 -3.173117 -0.300384
H 0.005604 -2.201880 1.064758
H -5.172288 -1.306751 -0.187041
H -4.798796 -1.658587 1.512819
H 2.006912 1.385950 1.023949
H 2.261132 2.232569 -0.527756
H 1.463586 -2.597735 -1.621390
H 1.906996 -3.356974 -0.073391
H -3.846108 -0.273998 -1.906802
H -3.886189 1.488882 -1.756414
H -2.372949 0.690106 -2.278484
H 3.270808 -0.044459 -2.359135
H 1.661617 -0.668672 -2.817557
H 1.908905 1.088275 -2.696067
H -3.702162 1.729554 2.427986
H -4.792868 0.373962 2.828836
H -3.030156 0.100815 2.729747
H 4.451450 1.037180 -0.810715
H 3.715524 -2.300159 0.995115
H -5.163171 1.988780 0.521714
H 4.127904 2.526465 1.880650
H 5.686791 2.157713 1.105904
H 4.519685 3.254136 0.290258


