%chk=000242705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242705

0 1
O -0.014729 -0.412395 -1.363690
O 0.544784 -1.453390 0.631963
O 1.922542 2.406433 -1.049978
O 3.879002 -1.415298 0.570813
O 0.067908 2.076859 0.211807
O 2.751318 -2.528564 -1.052626
C -0.549487 -1.253064 -0.309238
C -1.686822 -0.577397 0.436086
C 1.207036 0.189136 -0.939310
C 1.687958 -0.689025 0.239705
C -3.032543 -0.825502 -0.250692
C -4.172656 -0.119155 0.495007
C -5.523964 -0.366186 -0.188349
C 0.939443 1.633903 -0.490622
C 2.778094 -1.677991 -0.203627
C -6.665892 0.341721 0.554522
C -8.014189 0.099584 -0.120361
C 1.924040 3.845834 -0.768907
C 5.087833 -2.216230 0.356555
C 2.463138 4.097091 0.622180
C 5.799625 -1.750660 -0.894982
H -0.765630 -2.225343 -0.790959
H -1.702750 -0.941520 1.484712
H -1.486392 0.517874 0.513902
H 1.862451 0.168797 -1.844022
H 2.004426 -0.128483 1.151126
H -2.987681 -0.463132 -1.298063
H -3.238364 -1.912019 -0.309306
H -3.969452 0.968790 0.546794
H -4.211051 -0.468190 1.544933
H -5.728844 -1.452634 -0.241894
H -5.486425 -0.015708 -1.237902
H -6.463700 1.429652 0.605622
H -6.705598 -0.007815 1.604771
H -8.822492 0.608955 0.416004
H -8.263433 -0.967080 -0.153414
H -8.021186 0.469298 -1.152062
H 0.896831 4.227583 -0.906789
H 2.592312 4.207954 -1.572048
H 4.795811 -3.280561 0.312797
H 5.644202 -1.996701 1.286497
H 3.421057 3.586102 0.784952
H 1.765807 3.736947 1.393686
H 2.623323 5.167461 0.802002
H 5.951534 -0.663598 -0.895039
H 5.223238 -1.999599 -1.799085
H 6.783966 -2.224232 -0.995371


%chk=000242705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242705

0 1
O 0.024638 -0.272843 -0.861062
O 0.696055 -0.529644 1.401125
O 2.278436 2.593317 -0.777305
O 4.034915 -1.188355 0.165325
O 0.052992 2.503363 -0.060292
O 2.203984 -2.644994 0.106530
C -0.379837 -0.881800 0.449028
C -1.704243 -0.327253 0.950645
C 1.287678 0.425326 -0.675472
C 1.889148 -0.234019 0.614511
C -2.886329 -0.723060 0.037576
C -4.233863 -0.167577 0.549455
C -5.431403 -0.557276 -0.345735
C 1.088670 1.936282 -0.461794
C 2.683068 -1.503197 0.272783
C -6.781018 -0.001669 0.164025
C -7.974122 -0.397927 -0.732493
C 2.307486 4.074709 -0.547855
C 4.953609 -2.305881 -0.233265
C 2.668718 4.386593 0.906405
C 4.994658 -2.454016 -1.755852
H -0.384656 -1.975017 0.280103
H -1.866897 -0.720980 1.973856
H -1.612569 0.771838 1.017089
H 1.920449 0.267952 -1.564270
H 2.523981 0.454534 1.191678
H -2.692520 -0.346906 -0.985746
H -2.950011 -1.829203 -0.036329
H -4.169962 0.938241 0.616482
H -4.414925 -0.532675 1.582480
H -5.494872 -1.663707 -0.414689
H -5.252331 -0.191726 -1.378413
H -6.717288 1.103826 0.229790
H -6.956742 -0.364471 1.197552
H -8.925704 0.013911 -0.348278
H -8.079684 -1.498024 -0.788088
H -7.835541 -0.023066 -1.764295
H 1.319164 4.486887 -0.817047
H 3.074825 4.428624 -1.254153
H 4.603070 -3.232007 0.255047
H 5.925475 -1.997800 0.183012
H 3.629491 3.919075 1.182941
H 1.882832 4.028087 1.592286
H 2.766938 5.479966 1.038907
H 5.287548 -1.504991 -2.237055
H 4.013254 -2.769570 -2.147921
H 5.737832 -3.224376 -2.033125


