%chk=000181204.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181204

0 1
O -6.842397 2.016284 0.386091
N -6.380021 -0.247927 0.325734
C -5.098710 -0.233884 1.057289
C -3.887482 -0.184118 0.109878
C -2.575153 -0.180451 0.902561
C -1.358915 -0.132234 -0.032318
C -0.044213 -0.129835 0.759337
C -6.856074 -1.471983 -0.372365
C 1.172293 -0.082041 -0.175051
C 2.487252 -0.080212 0.616248
C -8.093401 -1.014831 -1.182911
C 3.703910 -0.032573 -0.317962
C -8.245072 0.495267 -0.938182
C 5.018910 -0.031088 0.473279
C -7.098205 0.901768 -0.023429
C 6.235619 0.016697 -0.460859
C 7.550736 0.018046 0.330215
C 8.767162 0.065821 -0.603933
C 10.083504 0.067333 0.186134
C 11.297763 0.114871 -0.738795
H -5.099214 0.664710 1.722856
H -5.049417 -1.129846 1.713348
H -3.908996 -1.041065 -0.588705
H -3.950780 0.723200 -0.524533
H -2.517648 -1.078252 1.547726
H -2.553177 0.688943 1.589475
H -1.379886 -0.995510 -0.724777
H -1.413355 0.769630 -0.672977
H 0.010675 -1.028988 1.402701
H -0.022137 0.736061 1.449255
H -6.067087 -1.891291 -1.028833
H -7.119105 -2.248651 0.375009
H 1.150596 -0.946158 -0.866611
H 1.118543 0.818728 -0.816703
H 2.541402 -0.979944 1.258937
H 2.509482 0.784877 1.306892
H -7.962909 -1.232101 -2.256606
H -8.996936 -1.560497 -0.861122
H 3.681871 -0.896869 -1.009342
H 3.650315 0.867917 -0.959842
H -8.201831 1.079721 -1.875110
H -9.211440 0.748829 -0.464947
H 5.072832 -0.931159 1.115533
H 5.041187 0.833589 1.164330
H 6.213583 -0.847559 -1.152312
H 6.182093 0.917143 -1.102737
H 7.604421 -0.882178 0.972277
H 7.572917 0.882614 1.021353
H 8.746472 -0.797950 -1.295788
H 8.714939 0.965660 -1.246465
H 10.106384 0.932580 0.877237
H 10.138013 -0.833580 0.828095
H 11.294596 1.015770 -1.362826
H 12.231910 0.115723 -0.166239
H 11.326276 -0.749306 -1.412113


%chk=000181204-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181204

0 1
O -7.018517 2.018412 0.602875
N -6.475252 -0.244730 0.206773
C -5.197675 -0.246107 0.928449
C -3.958365 -0.230612 0.001459
C -2.637338 -0.212883 0.802284
C -1.383268 -0.185047 -0.100136
C -0.058538 -0.159875 0.695235
C -6.966117 -1.396659 -0.574077
C 1.195049 -0.125019 -0.207631
C 2.521317 -0.094975 0.585046
C -8.446718 -1.019511 -0.875450
C 3.773875 -0.057176 -0.319214
C -8.460880 0.529455 -0.819982
C 5.101238 -0.025407 0.471595
C -7.266680 0.893826 0.079387
C 6.352829 0.012232 -0.434070
C 7.681114 0.043470 0.355466
C 8.932283 0.078878 -0.550938
C 10.261033 0.109290 0.238727
C 11.505115 0.142729 -0.675313
H -5.197986 0.659815 1.562639
H -5.157652 -1.133363 1.593381
H -3.970718 -1.117957 -0.664294
H -4.012627 0.663657 -0.649767
H -2.592484 -1.103722 1.463925
H -2.626960 0.673029 1.470451
H -1.391975 -1.071005 -0.769352
H -1.429603 0.704783 -0.761886
H -0.010123 -1.050856 1.356045
H -0.051388 0.724633 1.365951
H -6.379956 -1.524735 -1.508047
H -6.876555 -2.331288 0.011103
H 1.189123 -1.010245 -0.877856
H 1.144611 0.765076 -0.869326
H 2.573283 -0.985466 1.246250
H 2.527011 0.789774 1.255679
H -8.784705 -1.423669 -1.843887
H -9.101174 -1.430007 -0.086524
H 3.768413 -0.942137 -0.989776
H 3.721030 0.833021 -0.980704
H -8.299985 0.986262 -1.815041
H -9.390001 0.954913 -0.408241
H 5.154510 -0.915384 1.133412
H 5.107241 0.859789 1.141722
H 6.346368 -0.872735 -1.104596
H 6.299588 0.902359 -1.095647
H 7.733969 -0.845993 1.018075
H 7.688593 0.929275 1.024873
H 8.925966 -0.806649 -1.220776
H 8.881353 0.968566 -1.213374
H 10.266714 0.994830 0.906822
H 10.310546 -0.779141 0.901234
H 11.493779 1.037216 -1.326652
H 12.441408 0.164523 -0.087577
H 11.537974 -0.747760 -1.331325


