%chk=000180316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180316

0 1
O 3.849607 0.542406 -0.839097
O -3.210636 -1.246385 -1.818972
O -3.252572 2.528603 1.086489
O -4.452002 1.294121 -0.548879
O 5.486025 1.743240 0.156476
N 0.591681 -2.448052 -0.494180
C 0.712363 -0.561750 0.973430
C 1.391142 -1.183710 -0.304580
C 0.490525 -1.806019 1.887187
C 0.424884 -2.999466 0.901195
C 2.880895 -1.479852 -0.100660
C -0.662926 -0.064361 0.533182
C -0.735328 -2.052733 -1.068197
C 1.574485 0.473940 1.631681
C -1.347265 -0.819463 -0.434906
C 3.631416 -0.243375 0.393539
C 2.875126 0.616381 1.366995
C -1.235250 1.091829 1.111261
C -2.647148 -0.432936 -0.871799
C -2.493701 1.444690 0.671890
C -3.206213 0.704531 -0.304689
C -4.505492 2.465812 0.326854
C 4.810701 1.524331 -0.822984
C -4.539294 -0.867780 -2.275496
C 4.845832 2.192507 -2.153359
H 1.286325 -0.506455 -1.186110
H -0.430442 -1.712400 2.482760
H 1.318331 -1.920379 2.604558
H 1.253263 -3.714941 1.074153
H -0.516766 -3.568232 1.000714
H 3.315183 -1.831291 -1.060797
H 3.031234 -2.310420 0.616729
H -1.442145 -2.909851 -0.995813
H -0.588952 -1.875073 -2.160257
H 1.071753 1.109113 2.364623
H 4.638728 -0.506723 0.793978
H 3.483575 1.390054 1.842585
H -0.711621 1.678097 1.860963
H -4.557060 3.360698 -0.306820
H -5.323269 2.316128 1.043566
H -5.241744 -0.884529 -1.435467
H -4.759488 -1.651115 -3.008725
H -4.507043 0.125456 -2.735943
H 4.593641 3.260484 -2.057654
H 4.136611 1.743910 -2.867501
H 5.853632 2.134462 -2.592925


%chk=000180316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180316

0 1
O 3.830483 0.506369 -0.928328
O -3.191489 -1.181620 -1.903345
O -3.257816 2.641051 1.050013
O -4.448250 1.426572 -0.624907
O 5.601128 1.693057 0.021013
N 0.576298 -2.445046 -0.455173
C 0.725211 -0.559094 1.011971
C 1.407712 -1.223511 -0.235707
C 0.481669 -1.813789 1.942061
C 0.379605 -3.011467 0.924499
C 2.891017 -1.533423 0.020708
C -0.652556 -0.031830 0.554110
C -0.715750 -2.030325 -1.076304
C 1.614654 0.477794 1.665275
C -1.345451 -0.782967 -0.436901
C 3.660512 -0.257627 0.381232
C 2.938706 0.612592 1.387523
C -1.244551 1.131379 1.123134
C -2.634583 -0.374237 -0.902864
C -2.510050 1.490334 0.665905
C -3.209646 0.769168 -0.320837
C -4.600709 2.418669 0.470485
C 4.846114 1.464090 -0.953324
C -4.523519 -0.839208 -2.434553
C 4.875491 2.175057 -2.290374
H 1.336993 -0.563322 -1.118564
H -0.434506 -1.691833 2.543462
H 1.330049 -1.948159 2.637423
H 1.170616 -3.755472 1.128038
H -0.591291 -3.532410 0.976507
H 3.333648 -2.003514 -0.874555
H 3.001661 -2.248672 0.857856
H -1.420866 -2.879365 -1.033359
H -0.542361 -1.839596 -2.153131
H 1.176185 1.124536 2.437300
H 4.683664 -0.479043 0.736444
H 3.542931 1.373131 1.894893
H -0.739473 1.738788 1.875429
H -4.973264 3.362340 0.046517
H -5.267370 1.995980 1.249139
H -5.289141 -0.881940 -1.640451
H -4.722932 -1.604026 -3.199836
H -4.522714 0.167173 -2.887239
H 4.105131 2.967770 -2.299333
H 4.648764 1.477887 -3.112439
H 5.860645 2.641261 -2.440414


