%chk=000181285.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181285

0 1
O -1.705567 3.088979 -1.492103
O 0.461569 0.830117 0.197234
N -2.503914 0.132604 0.445773
N 2.735214 1.425933 0.039157
N 0.107964 -2.239042 1.823899
C -3.443229 -1.033862 0.304599
C -2.083804 0.775241 -0.831157
C -1.400203 2.112474 -0.473897
C -3.641371 -1.596840 1.726200
C -4.786473 -0.529467 -0.254278
C -2.875023 -2.142316 -0.607369
C 0.135730 2.062931 -0.544776
C 1.760575 0.558257 0.444229
C 2.027757 -0.661264 1.135550
C 3.371851 -0.958549 1.410368
C 4.021592 1.100002 0.323064
C 4.375522 -0.076949 1.004882
C 0.972132 -1.532328 1.519025
H -1.661321 -0.157708 0.963322
H -1.408437 0.143254 -1.446620
H -2.977549 0.978047 -1.461820
H -1.750834 2.495754 0.512329
H -3.963494 -0.813103 2.421723
H -4.398640 -2.385404 1.738277
H -2.715140 -2.030115 2.126302
H -4.698697 -0.186052 -1.288983
H -5.161622 0.311261 0.342075
H -5.543541 -1.318763 -0.231094
H -1.905278 -2.501506 -0.243008
H -3.543288 -3.008862 -0.634615
H -2.742959 -1.803793 -1.637519
H 0.615811 2.925450 -0.053590
H 0.513298 1.958627 -1.576821
H -2.637113 3.376955 -1.410268
H 3.623696 -1.880990 1.940261
H 4.780858 1.818779 -0.015462
H 5.420531 -0.296450 1.212308


%chk=000181285-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181285

0 1
O -1.603308 3.201469 -1.550226
O 0.450363 0.820402 0.307270
N -2.469414 0.075643 0.334758
N 2.734661 1.358374 0.031125
N 0.102244 -2.147747 2.160141
C -3.438257 -1.064717 0.250189
C -2.181726 0.849923 -0.887298
C -1.405850 2.144575 -0.535481
C -3.508901 -1.675244 1.672084
C -4.837842 -0.530996 -0.148107
C -2.985243 -2.162907 -0.761009
C 0.121287 1.998477 -0.543955
C 1.777821 0.543367 0.531539
C 2.070734 -0.629298 1.307462
C 3.432778 -0.921706 1.562006
C 4.039412 1.052681 0.289522
C 4.435788 -0.069115 1.049474
C 1.008933 -1.464474 1.783785
H -1.596607 -0.223254 0.792683
H -1.621207 0.293627 -1.677673
H -3.144958 1.156565 -1.338068
H -1.756077 2.477270 0.463718
H -3.853599 -0.914752 2.395351
H -4.209900 -2.529557 1.694168
H -2.515609 -2.038393 1.996070
H -4.865965 -0.166787 -1.192384
H -5.130659 0.297457 0.521427
H -5.588701 -1.337232 -0.061497
H -2.003380 -2.577236 -0.464327
H -3.712871 -2.995679 -0.792419
H -2.896695 -1.755514 -1.785835
H 0.620917 2.894042 -0.140601
H 0.487375 1.814334 -1.569564
H -2.544372 3.505546 -1.513129
H 3.690248 -1.807215 2.150689
H 4.780484 1.738832 -0.134367
H 5.494699 -0.269459 1.229673


