%chk=000228155.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228155

0 1
O -0.688583 -0.858315 -1.686003
O 2.213398 0.646805 2.343035
O 4.445790 1.598504 -0.084274
O -6.268494 -1.816020 1.473357
O 5.393800 -0.948728 0.494266
O 3.861639 -1.744372 -0.967879
C -1.485751 -0.127361 -0.688598
C -0.448212 -1.165320 -0.273873
C 1.278854 0.652834 0.040587
C -1.108466 1.360670 -0.613459
C 0.045251 1.543084 0.392064
C 0.910236 -0.816051 0.287675
C -2.990049 -0.475859 -0.785603
C 2.346312 1.237247 1.036994
C 0.630117 2.960403 0.546383
C 2.056736 2.752852 1.096000
C -2.235695 2.269644 -0.217517
C 1.776734 0.826436 -1.394096
C -3.826005 0.426236 0.118526
C -3.229985 -1.963829 -0.421834
C -3.425349 -0.213892 -2.240885
C -3.451452 1.845297 0.141335
C 3.800524 0.897791 0.652613
C -4.708876 -2.308161 -0.265786
C -4.894711 -0.014809 0.804295
C -5.375626 -1.412275 0.758990
C 4.329285 -0.380889 1.289018
C 5.024905 -1.612409 -0.664538
C 6.251643 -2.078282 -1.358829
H -0.774440 -2.177525 -0.003365
H -0.761478 1.654787 -1.643594
H -0.344364 1.220619 1.392068
H 0.940493 -1.051691 1.371306
H 1.678020 -1.478676 -0.184983
H 0.022507 3.582108 1.222843
H 0.659308 3.489293 -0.422646
H 2.799528 3.309786 0.489835
H 2.163586 3.131124 2.126383
H -1.985619 3.332825 -0.224420
H 1.001559 0.521659 -2.117164
H 2.075058 1.853660 -1.620818
H 2.638630 0.173483 -1.603718
H -2.707934 -2.206078 0.526673
H -2.776852 -2.607638 -1.203883
H -2.793320 -0.782823 -2.938854
H -4.465697 -0.509116 -2.411068
H -3.331985 0.844431 -2.509340
H -4.231753 2.544008 0.451634
H -4.833605 -3.371790 0.023668
H -5.247592 -2.206525 -1.231120
H 1.379429 0.935282 2.769850
H -5.487767 0.642475 1.443287
H 3.531888 -1.133742 1.446980
H 4.827844 -0.161565 2.255394
H 7.163316 -1.920683 -0.758284
H 6.388966 -1.532276 -2.308192
H 6.184204 -3.149443 -1.606533


%chk=000228155-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228155

0 1
O -0.820618 -0.864842 -1.777472
O 2.161602 0.712670 2.307866
O 4.520015 1.359609 -0.242565
O -6.641705 -1.835115 1.256829
O 5.539183 -1.020274 0.737636
O 4.246211 -1.759742 -1.052545
C -1.568791 -0.127194 -0.678030
C -0.515034 -1.160322 -0.323464
C 1.287757 0.639735 -0.089951
C -1.185090 1.373717 -0.584383
C 0.090174 1.566894 0.291602
C 0.887323 -0.829110 0.167407
C -3.088376 -0.474771 -0.710916
C 2.380924 1.212960 0.927201
C 0.709234 2.987834 0.353836
C 2.177028 2.754163 0.842981
C -2.279069 2.238488 0.007146
C 1.766108 0.836825 -1.553103
C -3.885877 0.376612 0.287475
C -3.344397 -1.982319 -0.421046
C -3.588593 -0.109094 -2.151222
C -3.470601 1.763863 0.474361
C 3.806988 0.756508 0.594251
C -4.844593 -2.330510 -0.335689
C -5.030100 -0.098988 0.895086
C -5.583425 -1.444835 0.669709
C 4.304681 -0.491342 1.339656
C 5.372729 -1.610182 -0.524780
C 6.705281 -2.000883 -1.112550
H -0.858349 -2.160960 -0.033683
H -0.953864 1.728197 -1.611404
H -0.224064 1.276671 1.321801
H 0.920163 -1.032718 1.257342
H 1.603191 -1.519744 -0.320197
H 0.153565 3.659169 1.031134
H 0.699586 3.452962 -0.649500
H 2.912148 3.176895 0.137830
H 2.375447 3.206488 1.831085
H -2.039539 3.303903 0.118249
H 0.953494 0.576922 -2.249103
H 2.106913 1.866928 -1.754099
H 2.609722 0.159599 -1.768955
H -2.884587 -2.243562 0.552065
H -2.853635 -2.594211 -1.200558
H -3.031324 -0.707587 -2.891492
H -4.668174 -0.308412 -2.258333
H -3.424898 0.960475 -2.370189
H -4.168526 2.439789 0.984723
H -4.994986 -3.385519 -0.045681
H -5.338046 -2.206688 -1.320789
H 1.336408 1.118365 2.672478
H -5.605121 0.546391 1.572497
H 3.516069 -1.261909 1.363611
H 4.571154 -0.226669 2.375052
H 7.396105 -2.346585 -0.327644
H 7.157127 -1.112419 -1.590387
H 6.564951 -2.778929 -1.877274


