%chk=000201754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201754

0 1
O 1.107264 -0.309551 -0.366439
O -1.779943 -0.023057 -2.366402
O 4.673484 -0.536546 2.557644
N -4.946874 0.160143 0.508776
N -1.420272 -0.870210 -0.264167
C -3.460021 0.327803 0.539456
C -5.562687 0.473715 1.841203
C -5.577794 0.961291 -0.593458
C -2.862545 -1.012115 0.048477
C -6.955447 -0.152477 1.932803
C -5.161798 0.427865 -1.963014
C -1.010386 -0.334235 -1.469702
C 0.500058 -0.186787 -1.679102
C 2.483616 -0.269057 -0.282254
C 2.941325 -0.413847 1.033666
C 3.353625 -0.101655 -1.370836
C 4.330201 -0.386792 1.236928
C 4.728140 -0.081630 -1.117401
C 5.237074 -0.222497 0.174768
C 6.081324 -0.526316 2.902021
H -3.111632 1.155674 -0.117680
H -3.080246 0.564148 1.553380
H -4.917574 0.034352 2.634782
H -5.620947 1.565129 2.043311
H -6.682550 0.867714 -0.486374
H -5.340139 2.045131 -0.519968
H -2.992227 -1.805731 0.813038
H -3.407011 -1.352898 -0.866795
H -7.349081 -0.089189 2.951886
H -6.926216 -1.212756 1.645348
H -7.671145 0.337752 1.263049
H -4.076361 0.513257 -2.139053
H -5.412688 -0.634722 -2.069036
H -5.665149 0.973939 -2.766538
H -0.750830 -1.032307 0.487508
H 0.734666 0.808978 -2.099687
H 0.877296 -0.985461 -2.344284
H 2.255121 -0.539532 1.865201
H 2.988196 0.012306 -2.383480
H 5.420234 0.047707 -1.952059
H 6.306535 -0.203540 0.342280
H 6.596052 -1.362202 2.419813
H 6.528873 0.436876 2.640978
H 6.044782 -0.661571 3.991211


%chk=000201754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201754

0 1
O 1.178913 -0.383154 -0.259366
O -1.691633 0.009397 -2.460084
O 4.934789 -0.906155 2.602662
N -5.073367 0.263109 0.431666
N -1.431123 -0.653321 -0.230931
C -3.611678 0.480973 0.305741
C -5.638197 0.658106 1.748516
C -5.848880 0.773367 -0.729431
C -2.870494 -0.852406 0.013749
C -6.962022 -0.057214 2.084527
C -5.511121 0.058001 -2.051935
C -0.961728 -0.231617 -1.446464
C 0.559085 -0.061449 -1.551707
C 2.581612 -0.288677 -0.154440
C 3.113663 -0.620540 1.107502
C 3.426295 0.109501 -1.222841
C 4.509853 -0.555360 1.312284
C 4.817308 0.166940 -0.992976
C 5.378188 -0.159327 0.260592
C 6.372747 -0.858139 2.878479
H -3.379581 1.188098 -0.517331
H -3.203781 0.927183 1.234923
H -4.893504 0.387867 2.520820
H -5.786812 1.767041 1.821997
H -6.921629 0.624099 -0.510687
H -5.696329 1.876946 -0.858254
H -2.999493 -1.549038 0.860335
H -3.319841 -1.312915 -0.881457
H -7.284775 0.198902 3.111019
H -6.827925 -1.151171 2.016191
H -7.778647 0.231394 1.398879
H -4.453440 0.191845 -2.342963
H -5.712367 -1.024960 -1.963323
H -6.137380 0.463093 -2.868769
H -0.738754 -0.800972 0.508287
H 0.775474 0.985069 -1.842228
H 0.932534 -0.736739 -2.346153
H 2.457245 -0.927521 1.925657
H 3.024929 0.368107 -2.205987
H 5.479342 0.473101 -1.810511
H 6.460343 -0.104020 0.404533
H 6.931824 -1.559021 2.228455
H 6.773785 0.166293 2.751716
H 6.472875 -1.167617 3.929104


