%chk=000259638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259638

0 1
O 2.104635 -1.754654 0.000021
O -2.104627 1.754676 -0.000064
C 1.327809 0.438829 -0.000043
C -1.327801 -0.438808 0.000004
C 0.955635 -0.948374 0.000004
C -0.955627 0.948395 -0.000044
C 2.783236 0.454637 -0.000055
C -2.783229 -0.454616 0.000016
C 0.347798 1.431329 -0.000067
C -0.347790 -1.431308 0.000030
C 3.196743 -0.851567 -0.000016
C -3.196735 0.851588 -0.000025
C 3.610682 1.662049 -0.000094
C -3.610675 -1.662028 0.000066
C 4.501426 -1.511226 -0.000023
C -4.501418 1.511247 -0.000054
C 4.002945 2.243890 1.215729
C 4.003118 2.243695 -1.215955
C -4.003072 -2.243688 1.215932
C -4.002978 -2.243854 -1.215751
C 5.126749 -1.822074 1.217424
C 5.126200 -1.823148 -1.217480
C -5.126777 1.822065 1.217383
C -5.126158 1.823198 -1.217520
C 4.786812 3.400527 1.210951
C 4.786984 3.400333 -1.211251
C -4.786938 -3.400325 1.211240
C -4.786845 -3.400491 -1.210962
C 6.380026 -2.439999 1.212251
C 6.379477 -2.441065 -1.212330
C -6.380053 2.439988 1.212191
C -6.379437 2.441114 -1.212390
C 5.179909 3.979448 -0.000168
C -5.179903 -3.979427 0.000163
C 7.006083 -2.748723 -0.000044
C -7.006077 2.748742 -0.000115
H 0.585310 2.490879 -0.000104
H -0.585303 -2.490858 0.000066
H 3.693759 1.793337 2.157056
H 3.694069 1.792989 -2.157254
H -3.693988 -1.792996 2.157226
H -3.693827 -1.793287 -2.157084
H 4.634587 -1.582178 2.159484
H 4.633604 -1.584087 -2.159526
H -4.634640 1.582145 2.159451
H -4.633536 1.584161 -2.159559
H 5.091762 3.851910 2.153586
H 5.092069 3.851565 -2.153914
H -5.091992 -3.851570 2.153908
H -5.091828 -3.851862 -2.153592
H 6.868921 -2.681708 2.154854
H 6.867948 -2.683606 -2.154939
H -6.868975 2.681674 2.154785
H -6.867881 2.683677 -2.155007
H 5.790624 4.879887 -0.000197
H -5.790618 -4.879865 0.000202
H 7.983109 -3.230041 -0.000055
H -7.983103 3.230059 -0.000140


%chk=000259638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259638

0 1
O 2.107908 -1.787714 0.000413
O -2.107901 1.787734 0.000382
C 1.348092 0.410486 0.000459
C -1.348085 -0.410466 0.000550
C 0.956874 -0.969988 0.000497
C -0.956867 0.970009 0.000470
C 2.808464 0.427536 0.000345
C -2.808457 -0.427516 0.000500
C 0.364113 1.429743 0.000451
C -0.364106 -1.429722 0.000569
C 3.227662 -0.893464 0.000302
C -3.227656 0.893484 0.000385
C 3.667098 1.644943 0.000167
C -3.667091 -1.644923 0.000412
C 4.566590 -1.526800 -0.000073
C -4.566584 1.526821 0.000000
C 4.069737 2.245770 1.221706
C 4.070534 2.244843 -1.221564
C -4.070370 -2.245227 1.221997
C -4.069887 -2.245344 -1.221274
C 5.216474 -1.834717 1.223239
C 5.213733 -1.838939 -1.223773
C -5.216641 1.834383 1.223308
C -5.213552 1.839315 -1.223702
C 4.864457 3.414046 1.222210
C 4.865265 3.413111 -1.222433
C -4.865093 -3.413501 1.222583
C -4.864616 -3.413615 -1.222061
C 6.492802 -2.439115 1.222794
C 6.490045 -2.443362 -1.224111
C -6.492969 2.438779 1.222859
C -6.489864 2.443739 -1.224044
C 5.265365 4.001094 -0.000204
C -5.265358 -4.001074 0.000210
C 7.132463 -2.744391 -0.000853
C -7.132456 2.744412 -0.000789
H 0.618280 2.492345 0.000389
H -0.618273 -2.492325 0.000597
H 3.757263 1.792813 2.169549
H 3.758695 1.791152 -2.169264
H -3.758386 -1.791871 2.169810
H -3.757560 -1.792052 -2.169004
H 4.718405 -1.598660 2.170082
H 4.713554 -1.606133 -2.170310
H -4.718703 1.598057 2.170153
H -4.713243 1.606777 -2.170235
H 5.170571 3.863982 2.173373
H 5.172010 3.862320 -2.173737
H -5.171703 -3.863032 2.173778
H -5.170863 -3.863229 -2.173333
H 6.986433 -2.670549 2.173064
H 6.981543 -2.678079 -2.174682
H -6.986734 2.669939 2.173127
H -6.981227 2.678731 -2.174617
H 5.882293 4.906775 -0.000346
H -5.882286 -4.906755 0.000132
H 8.123273 -3.212531 -0.001155
H -8.123266 3.212552 -0.001097


