%chk=000226209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226209

0 1
O -1.446694 1.201342 0.190345
O -1.338354 -0.877583 1.066157
O 5.256417 2.113901 0.151660
O 5.521855 0.327870 -1.032070
N -5.005480 0.316473 -0.392205
N 4.848337 1.077191 -0.347040
C -3.557549 0.409961 -0.754072
C -5.880182 0.878443 -1.474928
C -5.403512 -1.083425 -0.025307
C -2.902079 1.222527 0.370961
C 1.565714 -0.844967 0.168567
C 0.696416 0.280140 0.359344
C 2.953622 -0.616253 -0.080839
C -7.259116 1.218003 -0.907383
C -4.713723 -1.521779 1.265455
C 3.418087 0.739803 -0.102416
C -0.765704 0.079886 0.596449
C 1.187812 1.569558 0.334402
C 1.088779 -2.194850 0.220812
C 2.565400 1.804912 0.110035
C 3.813513 -1.743246 -0.280497
C 1.939530 -3.251800 0.027807
C 3.321722 -3.022022 -0.229499
H -3.384528 0.904922 -1.731596
H -3.065163 -0.585567 -0.829328
H -5.407026 1.811715 -1.855222
H -5.982552 0.193579 -2.344416
H -6.506720 -1.088247 0.130518
H -5.192505 -1.812971 -0.837385
H -3.149359 0.833410 1.374446
H -3.112692 2.303560 0.308431
H -7.828914 0.319716 -0.643584
H -7.168969 1.818448 0.008611
H -7.850376 1.791207 -1.628711
H -3.618440 -1.567127 1.162687
H -4.926186 -0.824122 2.085289
H -5.055315 -2.514767 1.574447
H 0.518128 2.425100 0.480355
H 0.027757 -2.373009 0.435940
H 2.942223 2.835409 0.110021
H 4.876496 -1.574592 -0.488847
H 1.574073 -4.278431 0.070807
H 3.979457 -3.878519 -0.383801


%chk=000226209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226209

0 1
O -1.470686 0.993984 0.360911
O -1.246725 -1.291157 0.695073
O 5.065008 2.468718 -0.618982
O 5.666585 0.367794 -1.248955
N -5.131673 0.350373 -0.421821
N 4.807049 1.211403 -0.779521
C -3.677490 0.422662 -0.691610
C -5.949399 1.339389 -1.171533
C -5.678025 -1.030781 -0.426790
C -2.942773 0.851927 0.596823
C 1.753202 -0.945434 0.260920
C 0.737746 0.086920 0.156387
C 3.145239 -0.617490 -0.051040
C -7.278889 1.687271 -0.473409
C -5.105947 -1.911920 0.700467
C 3.437094 0.743885 -0.429192
C -0.717125 -0.179939 0.429453
C 1.102617 1.393900 -0.215534
C 1.447319 -2.287794 0.672685
C 2.445577 1.727765 -0.498005
C 4.145062 -1.639800 0.076975
C 2.446781 -3.254660 0.784785
C 3.802617 -2.927658 0.490491
H -3.455979 1.152635 -1.494939
H -3.281275 -0.556991 -1.024744
H -5.350219 2.265181 -1.258528
H -6.156626 0.993790 -2.216342
H -6.773035 -0.960143 -0.299595
H -5.499835 -1.529423 -1.414106
H -3.110421 0.115793 1.399312
H -3.260242 1.854873 0.920358
H -7.956988 0.817568 -0.410726
H -7.086771 2.046449 0.552752
H -7.807901 2.480092 -1.034261
H -4.010642 -2.033762 0.617848
H -5.331251 -1.467001 1.686121
H -5.558915 -2.919860 0.659772
H 0.327580 2.158762 -0.285508
H 0.408882 -2.535245 0.897313
H 2.725346 2.746774 -0.775053
H 5.180023 -1.404526 -0.171007
H 2.186764 -4.269697 1.103418
H 4.582539 -3.690827 0.583734


