%chk=000229668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229668

0 1
O 3.916889 -0.932772 0.776917
O 0.656777 0.567989 0.484995
C 2.947076 0.139465 0.777463
C 3.536289 1.284234 -0.060184
C 4.650114 0.643194 -0.904430
C 4.833495 -0.771883 -0.339291
C 1.651912 -0.452623 0.189289
C -0.651914 0.315192 0.130053
C -3.362748 0.097549 -0.474875
C -1.521077 1.370961 0.475766
C -1.114092 -0.840948 -0.506568
C -4.828957 -0.021296 -0.792872
C -2.870938 1.249338 0.169759
C -2.478872 -0.937021 -0.802519
C -5.601471 -0.631978 0.376640
H 2.813845 0.394691 1.849634
H 3.940424 2.076671 0.594181
H 2.764579 1.769033 -0.684411
H 4.374713 0.615598 -1.972775
H 5.583449 1.228305 -0.841484
H 4.587256 -1.564983 -1.062403
H 5.826879 -0.951198 0.102258
H 1.380222 -1.394833 0.695433
H 1.706456 -0.604073 -0.899873
H -1.123050 2.251544 0.973200
H -0.446963 -1.654257 -0.768826
H -5.250087 0.974092 -1.042990
H -4.978275 -0.636607 -1.703641
H -3.556869 2.054002 0.433807
H -2.852126 -1.834996 -1.294225
H -5.229220 -1.634060 0.621092
H -6.668680 -0.718674 0.147378
H -5.502437 -0.022254 1.282703


%chk=000229668-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229668

0 1
O 3.969623 -1.097227 0.618291
O 0.674729 0.581110 0.581414
C 3.017055 0.038172 0.782356
C 3.621533 1.230961 0.003294
C 4.510052 0.542584 -1.066959
C 5.064927 -0.667714 -0.290958
C 1.667950 -0.447827 0.234938
C -0.658878 0.355879 0.193577
C -3.413513 0.104345 -0.507284
C -1.577473 1.377158 0.541401
C -1.108522 -0.791367 -0.503806
C -4.892071 -0.043032 -0.840332
C -2.934283 1.245591 0.192682
C -2.477104 -0.901142 -0.845460
C -5.724551 -0.571335 0.358918
H 2.913654 0.251837 1.861528
H 4.244561 1.847907 0.675740
H 2.834606 1.873916 -0.424636
H 3.899160 0.206643 -1.924592
H 5.307472 1.202910 -1.447888
H 5.320250 -1.533366 -0.925321
H 5.949874 -0.383695 0.314570
H 1.406493 -1.415723 0.705591
H 1.715688 -0.582830 -0.865438
H -1.206960 2.257092 1.076757
H -0.416569 -1.591072 -0.784284
H -5.304850 0.933990 -1.159553
H -5.016335 -0.733746 -1.696300
H -3.635408 2.045088 0.463419
H -2.818247 -1.791024 -1.389304
H -5.363611 -1.565252 0.680078
H -6.793740 -0.660893 0.091005
H -5.642910 0.109466 1.225757


