%chk=000229880.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229880

0 1
O 5.531216 -1.484061 0.859883
O 5.861476 -0.151371 -0.940273
O -6.402073 -0.469679 0.373775
O -5.467641 -2.283463 -0.340528
N 0.722062 0.863623 -0.289233
N -0.418434 1.515806 0.107283
N -5.425268 -1.116473 0.021355
C 3.045799 0.608298 -0.745383
C 3.849408 0.084295 0.448736
C 1.885759 1.455427 -0.276838
C 2.182440 2.862526 0.137850
C -1.639303 0.820651 0.061564
C 5.169205 -0.476122 -0.005825
C -2.801903 1.532225 0.461366
C -1.736036 -0.531346 -0.352608
C -4.123441 -0.449059 0.034844
C -4.032843 0.894161 0.445690
C -2.970093 -1.157360 -0.364360
C 6.805571 -2.137487 0.613464
H 3.698126 1.203756 -1.423918
H 2.688423 -0.247282 -1.363246
H 3.267009 -0.685949 1.004435
H 4.043827 0.890851 1.189616
H 1.684055 3.592432 -0.517462
H 3.257524 3.093963 0.087883
H 1.870726 3.063701 1.172456
H -0.408627 2.495260 0.401128
H -2.738210 2.569804 0.779220
H -0.836388 -1.069478 -0.660096
H -4.943046 1.424686 0.750686
H -3.067448 -2.202907 -0.681228
H 7.613960 -1.450886 0.881327
H 6.880523 -2.435164 -0.437877
H 6.764143 -3.003677 1.282515


%chk=000229880-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229880

0 1
O 5.852389 -1.371397 0.946657
O 5.860030 -0.249664 -1.094897
O -6.629051 -0.179490 0.328673
O -5.757715 -2.127612 -0.489051
N 0.677269 0.667200 -0.298064
N -0.441478 1.382821 0.105257
N -5.631086 -0.909439 -0.063781
C 3.045782 0.441607 -0.691672
C 3.979375 0.058318 0.487224
C 1.855154 1.260149 -0.240963
C 2.075197 2.688125 0.235730
C -1.708548 0.797168 0.052825
C 5.302033 -0.511243 -0.004687
C -2.837626 1.560966 0.474852
C -1.890147 -0.539416 -0.410072
C -4.286439 -0.324171 -0.023842
C -4.122690 1.004415 0.437414
C -3.175900 -1.095237 -0.446761
C 7.174162 -1.954418 0.600012
H 3.640706 1.006164 -1.435508
H 2.679837 -0.474080 -1.186344
H 3.496162 -0.665625 1.164374
H 4.219211 0.952228 1.098549
H 1.508379 3.414064 -0.382619
H 3.138770 2.964527 0.166001
H 1.761421 2.831054 1.290178
H -0.362050 2.347437 0.449564
H -2.700734 2.589537 0.830356
H -1.015071 -1.108290 -0.729776
H -5.001742 1.570805 0.755357
H -3.343179 -2.117221 -0.797094
H 7.918735 -1.153190 0.458525
H 7.097172 -2.545458 -0.327675
H 7.432174 -2.590931 1.457457


