%chk=000278612.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278612

0 1
O -2.928338 -0.051804 -1.213007
O -3.215307 1.316666 0.606150
O -5.856682 -2.128632 -0.464541
O -6.017411 0.114063 -0.722049
O 2.773326 3.088053 -0.007916
O 4.915051 3.281333 -0.182237
O 7.080237 -2.448749 0.437965
O 7.865647 -0.456866 0.121215
N 0.602531 -0.091173 0.565285
N 1.655441 0.792647 0.385925
N 3.912942 2.611670 -0.022184
N 6.949055 -1.244769 0.286983
C -3.049485 -0.057213 0.216416
C -4.259726 -0.889386 0.678213
C -1.732676 -0.577509 0.812489
C -3.431082 1.205175 -1.746968
C -3.750146 2.066507 -0.518394
C -5.445136 -0.838442 -0.244772
C -0.606792 0.391413 0.597129
C -7.039847 -2.349470 -1.300851
C 2.940425 0.290949 0.356348
C 4.054241 1.176284 0.161893
C -8.293911 -2.041205 -0.512011
C 3.207117 -1.110065 0.520409
C 5.367533 0.654921 0.141779
C 5.583957 -0.704568 0.306947
C 4.486469 -1.596185 0.497138
H -1.497886 -1.569915 0.358661
H -1.849037 -0.758635 1.905269
H -3.962801 -1.952817 0.833043
H -4.583657 -0.515247 1.678830
H -4.323278 0.949527 -2.346830
H -2.620332 1.590225 -2.384329
H -3.233667 3.036627 -0.478765
H -4.837616 2.180972 -0.343181
H -0.915695 1.447165 0.491488
H -6.923102 -3.423182 -1.538167
H -6.943847 -1.731730 -2.211051
H 1.493540 1.823335 0.257359
H 2.357187 -1.787623 0.664032
H -8.306060 -2.565408 0.452243
H -8.377735 -0.964604 -0.299253
H -9.195843 -2.336759 -1.062041
H 6.220351 1.343214 -0.007325
H 4.696347 -2.667393 0.622166


%chk=000278612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278612

0 1
O -2.716565 -0.405175 -1.035586
O -3.321640 1.385546 0.394816
O -5.994114 -2.231124 -0.267709
O -5.805966 -0.040058 -1.036757
O 2.620963 3.225232 0.556635
O 4.852902 3.435892 0.158734
O 6.868359 -2.482357 -0.379196
O 7.716487 -0.361971 -0.474720
N 0.471717 -0.030742 0.873301
N 1.533491 0.857914 0.698650
N 3.807988 2.705236 0.328639
N 6.741331 -1.195643 -0.319450
C -3.073603 -0.069793 0.353771
C -4.316647 -0.892548 0.764702
C -1.896319 -0.373975 1.323870
C -2.515152 0.867680 -1.770415
C -3.405638 1.869637 -1.010652
C -5.419748 -0.960034 -0.280855
C -0.702557 0.509219 1.101562
C -7.148256 -2.456222 -1.197133
C 2.797157 0.371339 0.450847
C 3.931148 1.248784 0.266932
C -8.460358 -1.996535 -0.556593
C 3.030958 -1.041675 0.365714
C 5.221073 0.731830 0.015291
C 5.395802 -0.654008 -0.057049
C 4.302374 -1.549441 0.116849
H -1.602213 -1.431411 1.213481
H -2.269428 -0.223381 2.357769
H -4.020347 -1.923518 1.020164
H -4.735976 -0.430296 1.678767
H -2.834920 0.692817 -2.809251
H -1.444950 1.151595 -1.741494
H -3.017976 2.900773 -1.017258
H -4.453348 1.826804 -1.347509
H -0.870290 1.600785 1.150017
H -7.127834 -3.543832 -1.369623
H -6.946905 -1.915550 -2.138424
H 1.444064 1.894449 0.745897
H 2.171481 -1.700160 0.502137
H -8.623104 -2.497122 0.413482
H -8.461152 -0.904628 -0.402191
H -9.306755 -2.250428 -1.221328
H 6.065112 1.412836 -0.120154
H 4.483660 -2.625344 0.050824


