%chk=000237297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237297

0 1
O 0.561415 -0.952719 1.574298
O -1.944807 -0.287544 -2.578803
C 0.485514 0.711882 -0.165405
C -0.726016 0.778800 -0.876044
C 1.065753 -0.620405 0.267506
C -1.516863 -0.470058 -1.210956
C 2.580158 -0.679565 0.238646
C -2.702685 -0.634732 -0.280535
C 1.149277 1.902165 0.169749
C -1.234083 2.024026 -1.276435
C 0.632833 3.139301 -0.219132
C -0.557183 3.200300 -0.952112
C 3.273634 -0.236549 -0.897405
C -2.511894 -1.218585 0.979380
C 3.286984 -1.223447 1.318313
C -3.978116 -0.203217 -0.666478
C 4.666799 -0.326456 -0.943135
C -3.599823 -1.386707 1.839387
C 4.681446 -1.309185 1.269499
C -5.063861 -0.375160 0.196725
C 5.373105 -0.859995 0.140636
C -4.877041 -0.970044 1.448437
H 0.659470 -1.469881 -0.349420
H -0.869355 -1.385521 -1.190909
H 2.085163 1.860483 0.728954
H -2.161557 2.055986 -1.852520
H 1.158528 4.055416 0.044680
H -0.956537 4.163154 -1.267011
H 2.726494 0.182017 -1.742416
H -1.509339 -1.526554 1.297758
H 2.742289 -1.590386 2.190036
H -4.116560 0.273546 -1.637541
H 0.684867 -0.200335 2.193118
H -2.487118 -1.052261 -2.862702
H 5.203420 0.019160 -1.825250
H -3.451015 -1.841990 2.817165
H 5.227861 -1.730817 2.111476
H -6.054887 -0.041657 -0.105441
H 6.458585 -0.927918 0.102935
H -5.723053 -1.104845 2.119450


%chk=000237297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237297

0 1
O 0.620714 -1.164865 1.413161
O -1.942773 -0.444329 -2.550618
C 0.560020 0.664514 -0.242402
C -0.742748 0.721073 -0.823438
C 1.208983 -0.671542 0.136785
C -1.578667 -0.527958 -1.118774
C 2.742483 -0.671042 0.177393
C -2.827891 -0.637743 -0.229052
C 1.234338 1.880695 0.049679
C -1.309377 1.982689 -1.129888
C 0.651756 3.130713 -0.242099
C -0.624132 3.181441 -0.848336
C 3.480139 -0.236401 -0.955062
C -2.739857 -1.280821 1.031684
C 3.443085 -1.165992 1.302278
C -4.075287 -0.116388 -0.655859
C 4.890519 -0.285149 -0.955485
C -3.881447 -1.391257 1.855920
C 4.857313 -1.208221 1.305794
C -5.217089 -0.230470 0.169354
C 5.586449 -0.767798 0.178740
C -5.124061 -0.866289 1.428721
H 0.904331 -1.452115 -0.583422
H -0.971801 -1.437228 -0.946190
H 2.235483 1.841542 0.492406
H -2.295485 2.014960 -1.602686
H 1.191731 4.054854 -0.008131
H -1.081228 4.146021 -1.095355
H 2.948108 0.145413 -1.834771
H -1.773194 -1.681596 1.361010
H 2.872972 -1.536515 2.160000
H -4.148151 0.370911 -1.634869
H 0.593654 -0.402522 2.047844
H -2.550237 -1.201126 -2.758621
H 5.446034 0.053077 -1.837560
H -3.804052 -1.891373 2.828210
H 5.386717 -1.593204 2.184898
H -6.177423 0.174454 -0.170305
H 6.681662 -0.804320 0.179751
H -6.009790 -0.956390 2.067790


