%chk=000218007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218007

0 1
O 1.660666 4.969182 0.005289
N 1.481952 -1.418665 -0.011236
N 3.615591 -3.400336 -0.154909
C 0.480991 -0.537543 0.702400
C 1.234130 -2.870574 0.288247
C 2.891109 -1.085789 0.391147
C 2.204513 -3.735573 -0.539393
C 3.875008 -1.947382 -0.425253
C -0.934282 -0.834478 0.147633
C 0.820730 0.923612 0.468087
C -2.016832 -0.070956 0.922381
C 4.578568 -4.251409 -0.915926
C 0.922145 1.800844 1.562989
C 1.010799 1.415110 -0.830235
C -3.382775 -0.396330 0.381747
C 1.203693 3.148552 1.369284
C 1.297534 2.765143 -1.053475
C 1.388601 3.618091 0.052657
C -3.905961 0.332135 -0.698228
C -4.140340 -1.433703 0.947036
C -5.172715 0.027221 -1.202105
C -5.407143 -1.734356 0.439326
C -5.926608 -1.005523 -0.635021
C 1.867520 5.571510 -1.294316
H 0.482890 -0.745554 1.806374
H 0.187710 -3.119169 0.001517
H 1.348087 -3.111093 1.368165
H 3.072187 -1.236881 1.477599
H 3.084806 -0.013782 0.170904
H 2.027556 -4.807430 -0.309327
H 2.003583 -3.589906 -1.623103
H 3.792845 -1.686256 -1.502733
H 4.913309 -1.716460 -0.105658
H -1.140975 -1.923889 0.190885
H -0.977372 -0.573639 -0.928564
H -1.957864 -0.312019 2.002464
H -1.826143 1.021964 0.858721
H 4.535353 -4.141194 -2.009292
H 4.395745 -5.308792 -0.666104
H 5.602486 -4.016266 -0.583733
H 0.778755 1.426123 2.576585
H 0.944288 0.727844 -1.677361
H 1.284327 3.842422 2.202147
H 1.443175 3.126677 -2.064898
H -3.322709 1.135535 -1.143971
H -3.742167 -2.005797 1.781882
H -5.574064 0.596134 -2.038962
H -5.991079 -2.538965 0.882719
H -6.912797 -1.240359 -1.027995
H 2.739268 5.128828 -1.784315
H 2.056111 6.619806 -1.028289
H 0.964793 5.478735 -1.904682


%chk=000218007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218007

0 1
O 1.642391 5.060270 -0.019768
N 1.514694 -1.418535 -0.000977
N 3.600284 -3.446584 -0.245809
C 0.500856 -0.561404 0.697608
C 1.187802 -2.868478 -0.042365
C 2.867250 -1.235581 0.596131
C 2.256937 -3.640268 -0.835079
C 3.930563 -2.003641 -0.201037
C -0.943205 -0.858247 0.199387
C 0.846455 0.916785 0.492146
C -2.020793 0.049062 0.854873
C 4.635759 -4.244598 -0.927049
C 0.858784 1.829599 1.577173
C 1.117967 1.415141 -0.803978
C -3.423160 -0.334094 0.404353
C 1.125117 3.198243 1.379026
C 1.388947 2.783872 -1.025482
C 1.388418 3.680638 0.073283
C -3.968017 0.198051 -0.793571
C -4.202645 -1.260862 1.144009
C -5.251637 -0.186097 -1.242094
C -5.487581 -1.648909 0.700582
C -6.016782 -1.113304 -0.496435
C 1.918348 5.607388 -1.349104
H 0.516214 -0.768381 1.802428
H 0.218906 -3.016422 -0.547163
H 1.117548 -3.303086 0.987338
H 2.886880 -1.592122 1.657020
H 3.114205 -0.160040 0.593817
H 2.012090 -4.719367 -0.816938
H 2.224093 -3.297243 -1.902306
H 3.996692 -1.564734 -1.230565
H 4.915586 -1.878882 0.287280
H -1.211930 -1.907424 0.422092
H -0.975569 -0.737743 -0.901291
H -1.939008 -0.040128 1.956702
H -1.812876 1.104603 0.602100
H 4.770390 -3.970002 -2.005031
H 4.372524 -5.316857 -0.878766
H 5.606394 -4.107888 -0.416814
H 0.660708 1.464408 2.592656
H 1.142321 0.708329 -1.640898
H 1.137917 3.906404 2.213166
H 1.600492 3.134449 -2.040471
H -3.382176 0.922887 -1.373014
H -3.800701 -1.676557 2.076940
H -5.657088 0.239238 -2.167533
H -6.076189 -2.362861 1.288379
H -7.013916 -1.410056 -0.840951
H 2.829646 5.157864 -1.790310
H 2.077128 6.684143 -1.189711
H 1.061967 5.454419 -2.034879


