%chk=000245739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245739

0 1
O 1.250834 -2.486325 0.362569
O 0.310830 2.607625 -0.219197
O -3.709338 0.345125 0.646196
O 4.361528 0.041825 -1.271860
O 4.895135 0.580969 0.834078
C 1.637532 0.660162 0.235140
C 1.286462 -0.385178 -0.844021
C 0.432918 1.596619 0.432091
C 2.856511 1.499159 -0.180517
C -0.551998 1.170785 1.496852
C -1.920791 1.839859 1.322656
C 0.489912 -1.506050 -0.306770
C -2.692823 1.223201 0.221740
C 4.122298 0.700769 -0.084460
C -0.836406 -1.854316 -0.299661
C -2.665093 1.284642 -1.147982
C -0.935668 -3.111343 0.402485
C 0.333296 -3.456183 0.783289
C -3.708132 0.409919 -1.627735
C -4.311381 -0.132476 -0.524879
H 1.869094 0.131473 1.195524
H 2.232466 -0.782258 -1.294446
H 0.750170 0.094719 -1.693747
H 2.947633 2.401152 0.467028
H 2.712964 1.897161 -1.212936
H -0.671550 0.063105 1.505847
H -0.132379 1.425090 2.493654
H -1.784530 2.928598 1.112780
H -2.495178 1.775937 2.273270
H -1.664475 -1.315485 -0.726007
H -2.010099 1.873853 -1.761976
H -1.848165 -3.648682 0.575508
H 0.790287 -4.263624 1.308960
H -3.944574 0.242747 -2.660681
H -5.111418 -0.811166 -0.337137
H 5.194127 -0.503110 -1.250057


%chk=000245739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245739

0 1
O 0.835068 -2.452453 0.826746
O 0.235697 2.253827 -0.629025
O -3.570790 0.177006 0.782757
O 5.271777 1.504069 -0.857443
O 4.541095 -0.392207 0.261354
C 1.759093 0.531904 0.171925
C 1.494212 -0.690865 -0.784084
C 0.483999 1.388455 0.256119
C 2.927239 1.394578 -0.354609
C -0.449752 1.146808 1.438721
C -1.822337 1.854424 1.305512
C 0.466376 -1.659421 -0.290121
C -2.733514 1.214900 0.300309
C 4.276871 0.710897 -0.266611
C -0.824820 -1.988883 -0.670851
C -2.961319 1.383643 -1.056591
C -1.293347 -3.026028 0.228014
C -0.266775 -3.280786 1.118545
C -3.974974 0.423874 -1.451573
C -4.318225 -0.288425 -0.315635
H 2.006453 0.124141 1.169714
H 2.459454 -1.214812 -0.911278
H 1.175384 -0.306150 -1.769683
H 3.002359 2.341156 0.215288
H 2.743706 1.706272 -1.398845
H -0.574530 0.056754 1.585197
H 0.079631 1.509478 2.346881
H -1.651866 2.903242 1.006693
H -2.322632 1.857694 2.291006
H -1.388030 -1.532485 -1.482939
H -2.449580 2.104442 -1.690419
H -2.268202 -3.509183 0.211425
H -0.135558 -3.959490 1.956446
H -4.396925 0.291573 -2.446304
H -5.026260 -1.083834 -0.100469
H 6.151021 1.044183 -0.770576


