%chk=000218708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218708

0 1
O -3.707444 0.663918 0.432613
O 0.663822 1.168286 -1.606311
N 3.823172 0.109728 -0.331509
N 1.094900 -0.363338 0.072836
C 2.903459 0.330820 -1.486366
C 5.083321 -0.585258 -0.757146
C 4.111243 1.408469 0.369293
C 1.448768 0.446985 -1.017078
C 4.796066 -2.051541 -1.078798
C 4.622855 1.131322 1.782286
C -0.197245 -0.462780 0.674100
C -1.308154 0.227427 0.165946
C -2.538672 0.058756 0.810622
C -3.684064 1.556868 -0.729541
C -0.317349 -1.300216 1.803325
C -5.136278 2.021993 -0.822870
C -2.687388 -0.773992 1.940360
C -1.565284 -1.442404 2.418530
C -5.326361 2.977340 -1.994366
H 3.141389 1.233921 -2.093876
H 2.958884 -0.532629 -2.191986
H 5.803236 -0.531871 0.092220
H 5.576072 -0.090239 -1.621672
H 3.163324 1.990731 0.433726
H 4.834414 2.044272 -0.185422
H 4.272291 -2.544007 -0.248597
H 4.166538 -2.165997 -1.968973
H 5.726328 -2.602123 -1.257832
H 3.939337 0.466357 2.327480
H 5.606573 0.648052 1.779723
H 4.708269 2.061396 2.355485
H 1.856752 -0.882024 0.537937
H -1.197630 0.874454 -0.706304
H -3.358553 0.978106 -1.609892
H -2.979187 2.380041 -0.525595
H 0.540546 -1.832835 2.197964
H -5.433129 2.505669 0.130360
H -5.802603 1.140649 -0.922834
H -3.661179 -0.875264 2.408213
H -1.657947 -2.090894 3.291159
H -5.074316 2.504715 -2.951385
H -6.368704 3.312162 -2.061674
H -4.702673 3.873974 -1.895050


%chk=000218708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218708

0 1
O -3.727300 0.627420 0.500514
O 0.639218 1.423878 -1.773751
N 3.803609 0.149603 -0.342429
N 1.171327 0.019606 0.060648
C 2.958337 0.673410 -1.447633
C 4.917953 -0.727569 -0.810957
C 4.257715 1.249897 0.565940
C 1.460502 0.760452 -1.067734
C 4.433732 -2.111508 -1.280775
C 4.644499 0.758482 1.972622
C -0.070954 -0.189522 0.712587
C -1.276352 0.371793 0.214188
C -2.483719 0.124562 0.908661
C -3.772111 1.449248 -0.725956
C -0.077877 -0.984431 1.888352
C -5.233207 1.849114 -0.942543
C -2.504213 -0.666873 2.085099
C -1.297292 -1.213762 2.562207
C -5.404821 2.713189 -2.211075
H 3.269821 1.681002 -1.797468
H 3.026002 0.000611 -2.321925
H 5.612753 -0.865104 0.036286
H 5.500264 -0.229624 -1.623449
H 3.418271 1.964098 0.658435
H 5.107535 1.812050 0.109040
H 3.914798 -2.638093 -0.460686
H 3.736227 -2.042402 -2.135157
H 5.293549 -2.726728 -1.603838
H 3.792463 0.243575 2.451458
H 5.500501 0.060565 1.953919
H 4.929918 1.617189 2.607278
H 2.036475 -0.409161 0.445458
H -1.230465 0.980022 -0.690554
H -3.388080 0.858943 -1.583711
H -3.126696 2.343137 -0.599258
H 0.856474 -1.415941 2.266208
H -5.588724 2.400197 -0.051865
H -5.846252 0.931520 -1.018205
H -3.456671 -0.836294 2.595213
H -1.305729 -1.827172 3.469947
H -5.072895 2.170403 -3.116008
H -6.463963 2.991075 -2.355104
H -4.817222 3.648141 -2.144878


