%chk=000213002.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213002

0 1
O 3.221735 -1.991009 0.017652
O 1.658207 1.816158 -0.559830
O 4.332099 -0.313463 1.137119
O -0.358809 2.790269 -0.034339
N 4.706910 -2.559083 1.611660
N 0.734980 3.242410 -2.041703
C 1.279044 -0.494230 0.146351
C -0.063695 -0.618400 -0.595569
C -1.264288 -0.281728 0.298182
C -2.588191 -0.635444 -0.392835
C -3.790637 -0.248160 0.478899
C 2.425909 -1.018357 -0.732110
C 1.576743 0.938207 0.608245
C -5.117100 -0.612462 -0.200810
C -6.319979 -0.220708 0.669049
C -7.644109 -0.582061 -0.000699
C 4.125366 -1.493234 0.938258
C 0.576847 2.643770 -0.792976
H 1.233524 -1.135807 1.068353
H -0.063564 0.045661 -1.483034
H -0.170853 -1.650810 -0.984295
H -1.253674 0.803853 0.545969
H -1.188956 -0.816773 1.262927
H -2.620899 -1.717739 -0.620783
H -2.652343 -0.115705 -1.368681
H -3.720715 -0.749500 1.463047
H -3.762005 0.838900 0.692063
H 2.088399 -1.652076 -1.572599
H 3.088821 -0.214046 -1.099528
H 0.821431 1.322297 1.316967
H 2.601128 1.036243 1.033120
H -5.147029 -1.697741 -0.415204
H -5.187182 -0.109589 -1.184477
H -6.250626 -0.721224 1.654544
H -6.292303 0.866437 0.880092
H -7.720478 -1.658878 -0.188650
H -8.495729 -0.296707 0.626703
H -7.760699 -0.072407 -0.963845
H 4.558982 -3.505552 1.296726
H 5.523949 -2.386953 2.179288
H 1.625402 3.180695 -2.513911
H 0.181588 4.063546 -2.245436


%chk=000213002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213002

0 1
O 2.805044 -1.869813 -0.200719
O 1.756397 2.300680 -0.939316
O 3.740710 -1.660717 1.959472
O -0.414714 3.233642 -0.801771
N 3.292777 -3.748379 0.980277
N 0.947732 3.490851 -2.694417
C 1.503096 0.193890 0.373526
C 0.199694 -0.303334 -0.300058
C -1.090473 0.017902 0.487615
C -2.351750 -0.597555 -0.160202
C -3.649730 -0.269037 0.611118
C 2.762503 -0.387289 -0.303651
C 1.619431 1.729314 0.431322
C -4.917718 -0.873229 -0.033065
C -6.214318 -0.538349 0.739271
C -7.478267 -1.142329 0.089762
C 3.319641 -2.370654 1.011201
C 0.655781 3.031916 -1.428275
H 1.512035 -0.141274 1.432310
H 0.126543 0.128844 -1.319393
H 0.281733 -1.400572 -0.431997
H -1.226857 1.114782 0.552982
H -0.991795 -0.362326 1.526605
H -2.233249 -1.699756 -0.230142
H -2.442922 -0.225773 -1.202240
H -3.558801 -0.636529 1.655126
H -3.762180 0.833060 0.678262
H 2.760256 -0.196082 -1.388325
H 3.680038 0.023995 0.155138
H 0.738584 2.186314 0.913179
H 2.538751 2.038359 0.958600
H -4.807407 -1.976268 -0.100925
H -5.009604 -0.505834 -1.076853
H -6.121270 -0.905067 1.782165
H -6.321787 0.563612 0.806785
H -7.408698 -2.245620 0.038756
H -8.390423 -0.887217 0.660428
H -7.609774 -0.767697 -0.943158
H 2.944313 -4.239161 0.160531
H 3.640610 -4.260656 1.785462
H 1.850611 3.294056 -3.118921
H 0.252661 4.047899 -3.182566


