%chk=000249336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249336

0 1
O 3.504507 0.972157 -2.064156
O -5.715561 0.724844 -1.279825
C 2.335702 0.119785 0.738597
C 1.569454 -0.831602 -0.231965
C 0.135339 -1.083608 0.250506
C -0.606659 0.284883 0.264533
C 3.786685 0.066765 0.149826
C 1.626267 1.486166 0.703907
C 2.522439 -2.024577 -0.403944
C 0.152002 1.326608 1.115919
C -2.091379 0.116479 0.729344
C 3.929701 -1.380833 -0.398373
C -0.591392 -2.077084 -0.670651
C 2.402781 -0.394517 2.186924
C -2.049879 -2.266502 -0.238592
C -2.756473 -0.942973 -0.150535
C 3.983796 1.092154 -0.958949
C -2.210009 -0.338732 2.197097
C -2.793620 1.459940 0.626542
C -3.908927 -0.726022 -0.802967
C -3.936665 1.661107 -0.031965
C 4.824645 2.286557 -0.596285
C -4.630906 0.562424 -0.757561
H 1.512622 -0.318700 -1.232503
H 0.153742 -1.501600 1.284882
H -0.641134 0.664708 -0.789002
H 4.532967 0.240510 0.953923
H 1.678240 1.926014 -0.311877
H 2.125709 2.206395 1.375349
H 2.332642 -2.566158 -1.344128
H 2.412641 -2.757250 0.411444
H 0.098531 1.048041 2.186723
H -0.349812 2.310853 1.031728
H 4.627514 -1.961231 0.224732
H 4.348379 -1.371098 -1.421112
H -0.069580 -3.052575 -0.663091
H -0.554379 -1.724576 -1.720828
H 2.942971 0.303329 2.833806
H 1.400901 -0.526605 2.612439
H 2.907173 -1.364931 2.249385
H -2.099266 -2.778287 0.745668
H -2.562920 -2.948943 -0.947271
H -1.823381 0.418574 2.888133
H -3.256738 -0.525699 2.468326
H -1.648114 -1.262347 2.377868
H -2.297451 2.275337 1.159428
H -4.387518 -1.488080 -1.419273
H -4.433115 2.630552 -0.080774
H 4.480766 2.772301 0.324271
H 5.875218 2.005164 -0.447589
H 4.806143 3.040985 -1.397283


%chk=000249336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249336

0 1
O 3.533593 0.820672 -2.218624
O -5.526438 0.938068 -1.708697
C 2.385543 0.102541 0.764439
C 1.588649 -0.866664 -0.164193
C 0.136077 -1.109815 0.302817
C -0.604772 0.268339 0.359624
C 3.824224 0.052939 0.086532
C 1.648159 1.465436 0.784311
C 2.531510 -2.077676 -0.337752
C 0.170120 1.295997 1.232088
C -2.140763 0.111831 0.773028
C 3.954204 -1.431024 -0.415925
C -0.596542 -2.097971 -0.633145
C 2.560112 -0.431521 2.213614
C -2.087187 -2.269332 -0.235743
C -2.770590 -0.919620 -0.167654
C 3.956851 1.067623 -1.054776
C -2.289779 -0.378720 2.256908
C -2.837897 1.458533 0.694287
C -3.854512 -0.629520 -0.953457
C -3.918806 1.726992 -0.090978
C 4.630078 2.393641 -0.725237
C -4.510375 0.693934 -0.975343
H 1.531416 -0.365048 -1.155402
H 0.154048 -1.553713 1.321160
H -0.617602 0.662913 -0.681026
H 4.590160 0.296049 0.847700
H 1.657956 1.909490 -0.231688
H 2.152742 2.183739 1.462086
H 2.303408 -2.658574 -1.247937
H 2.450178 -2.769401 0.523327
H 0.139293 0.991005 2.295408
H -0.319531 2.285353 1.172278
H 4.688844 -1.986763 0.193252
H 4.311938 -1.433639 -1.459769
H -0.094488 -3.083485 -0.610583
H -0.537284 -1.725937 -1.676344
H 3.126080 0.302483 2.817786
H 1.595744 -0.604721 2.721709
H 3.120249 -1.382748 2.232460
H -2.134181 -2.776895 0.749679
H -2.606460 -2.922613 -0.959834
H -1.926615 0.389304 2.962187
H -3.352893 -0.569977 2.484722
H -1.724841 -1.308042 2.443017
H -2.447941 2.241064 1.359021
H -4.281091 -1.386102 -1.624027
H -4.401568 2.711328 -0.096789
H 4.190521 2.845419 0.183233
H 5.702575 2.220718 -0.508887
H 4.542485 3.092211 -1.572062


