%chk=000180906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180906

0 1
O -3.233122 -2.076009 0.617408
O 2.016377 -1.756365 -1.712820
N 1.434797 -1.641411 0.512829
N -2.205823 -2.893284 0.165064
C 2.633484 -0.890482 1.030616
C 2.478115 0.584691 0.636527
C 3.928530 -1.473697 0.447754
C 2.646317 -1.096816 2.558022
C -0.073583 -2.745102 -1.100158
C 1.221569 -1.987695 -0.814783
C -1.279423 -2.166226 -0.464939
C -1.670816 -0.756209 -0.445970
C -2.908358 -0.756712 0.242237
C 2.696699 0.966906 -0.697773
C 2.119984 1.566868 1.569195
C -3.655664 0.406247 0.490350
C -1.126735 0.446232 -0.905821
C -1.847828 1.619082 -0.668417
C -3.092229 1.589796 0.015444
C 2.587123 2.303922 -1.083133
C 2.010934 2.907729 1.183486
C 2.250777 3.281653 -0.140667
C -4.957755 0.361663 1.208054
C -1.305216 2.925431 -1.148464
H 0.694566 -1.809594 1.194993
H 4.079141 -2.515308 0.749819
H 3.921186 -1.467453 -0.656091
H 4.800551 -0.896039 0.771056
H 2.751254 -2.157768 2.817580
H 1.739104 -0.726148 3.047826
H 3.499607 -0.574470 3.009345
H -0.217881 -2.765464 -2.210937
H 0.061031 -3.816142 -0.816670
H 2.948673 0.205151 -1.446503
H 1.921008 1.304884 2.607121
H -0.167792 0.460938 -1.423347
H -3.623238 2.528737 0.173705
H 2.768967 2.584332 -2.119395
H 1.739831 3.660373 1.921452
H 2.179653 4.325929 -0.436867
H -5.192084 -0.647832 1.579601
H -4.967269 1.036530 2.075969
H -5.787193 0.661720 0.549938
H -0.224122 3.010757 -0.950839
H -1.444101 3.033000 -2.234456
H -1.785349 3.789154 -0.672336


%chk=000180906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180906

0 1
O -2.317248 -0.157809 1.214625
O 2.671452 -0.618823 -1.642410
N 1.754948 -0.787180 0.521818
N -0.947916 -0.413061 0.732298
C 2.981502 -1.024693 1.362157
C 3.738663 0.312668 1.593625
C 3.918568 -2.067895 0.692660
C 2.442299 -1.634697 2.680802
C 0.274398 -0.425170 -1.455278
C 1.684774 -0.614715 -0.836016
C -0.956647 -0.237894 -0.603511
C -2.280705 0.126850 -1.077399
C -3.089573 0.163922 0.082174
C 4.353183 0.973420 0.493210
C 3.850800 0.906113 2.876698
C -4.465614 0.481923 0.079754
C -2.845419 0.421189 -2.344442
C -4.216440 0.744120 -2.405578
C -4.992163 0.767812 -1.198973
C 5.051764 2.185492 0.676078
C 4.553193 2.120235 3.061181
C 5.158137 2.766611 1.961641
C -5.287457 0.510020 1.349301
C -4.888018 1.066050 -3.729570
H 0.862622 -0.702295 1.041111
H 3.376140 -3.018215 0.536494
H 4.285245 -1.719013 -0.283116
H 4.780708 -2.256978 1.356726
H 1.922282 -2.583168 2.460101
H 1.726665 -0.962530 3.189344
H 3.271399 -1.851758 3.375217
H 0.367731 0.440329 -2.137936
H 0.118819 -1.300417 -2.117542
H 4.264972 0.540994 -0.508982
H 3.393135 0.429680 3.749086
H -2.236871 0.398636 -3.254505
H -6.057103 1.023772 -1.271518
H 5.514369 2.676843 -0.187699
H 4.626315 2.557153 4.063986
H 5.703742 3.706690 2.102536
H -4.883908 1.245484 2.069493
H -6.336789 0.773366 1.137086
H -5.271480 -0.472215 1.856564
H -4.167581 1.045319 -4.564646
H -5.690198 0.339947 -3.960176
H -5.353000 2.069391 -3.711462


