%chk=000219709.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219709

0 1
O -3.835753 2.068693 1.164995
O 5.057310 0.470392 -0.061117
O 5.025930 -1.681112 0.610900
N -1.209415 -0.339106 -0.570926
C -3.545882 0.137988 -0.235745
C -4.175692 -1.238244 0.054981
C -5.660400 -1.254460 -0.325103
C -6.438918 -0.158936 0.413693
C -5.837871 1.228569 0.164344
C -4.353911 1.239277 0.453267
C -2.099669 0.161487 0.213795
C 0.183526 -0.381469 -0.277510
C 0.755578 -1.596866 0.151157
C 0.994415 0.741691 -0.536507
C 2.948836 -0.565566 0.053346
C 2.134969 -1.683228 0.312148
C 2.373898 0.642356 -0.374003
C 4.406785 -0.705288 0.242316
C 6.520973 0.466191 0.084882
C 6.925933 1.872847 -0.299055
H -3.593111 0.323432 -1.344143
H -4.051084 -1.494146 1.125193
H -3.625828 -2.016652 -0.512778
H -6.094134 -2.246447 -0.091637
H -5.773081 -1.128243 -1.419793
H -6.448123 -0.370028 1.502082
H -7.499708 -0.166141 0.095830
H -6.347273 1.989538 0.792305
H -6.010751 1.545829 -0.884195
H -1.931350 0.623092 1.203602
H 0.122187 -2.461738 0.339369
H 0.545209 1.674387 -0.872886
H 2.598316 -2.618755 0.641751
H 3.018827 1.503636 -0.574180
H 6.752290 0.208168 1.132727
H 6.921058 -0.310332 -0.589609
H 8.012866 2.003183 -0.237199
H 6.613190 2.114085 -1.324396
H 6.456860 2.618617 0.357396


%chk=000219709-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219709

0 1
O -3.493874 2.255505 0.046881
O 4.994218 0.590890 0.054767
O 5.181516 -1.714917 -0.240532
N -1.249967 -0.794329 -0.786841
C -3.561690 -0.175096 -0.279538
C -4.297605 -1.146018 0.711390
C -5.824365 -1.138014 0.473865
C -6.408149 0.286504 0.609538
C -5.700674 1.279900 -0.357862
C -4.187153 1.227576 -0.183131
C -2.075793 -0.144792 -0.017426
C 0.156806 -0.723613 -0.591196
C 0.917223 -1.917941 -0.727157
C 0.827595 0.509492 -0.343053
C 2.980920 -0.660912 -0.311122
C 2.312306 -1.887696 -0.573030
C 2.227319 0.537575 -0.207441
C 4.461720 -0.685164 -0.170855
C 6.477549 0.653635 0.209414
C 6.838285 2.121501 0.413859
H -3.728567 -0.561530 -1.305597
H -4.080822 -0.836854 1.753777
H -3.883293 -2.161736 0.577267
H -6.315272 -1.819073 1.194623
H -6.041534 -1.531667 -0.539868
H -6.281650 0.641414 1.651501
H -7.493911 0.282919 0.400030
H -6.042560 2.317294 -0.201856
H -5.941733 0.991116 -1.401993
H -1.744181 0.429456 0.871059
H 0.391806 -2.851858 -0.948901
H 0.247088 1.437410 -0.288458
H 2.910934 -2.800225 -0.660001
H 2.750287 1.480109 -0.023270
H 6.764601 0.022145 1.069982
H 6.940700 0.224802 -0.697784
H 7.932317 2.224032 0.534091
H 6.526046 2.728652 -0.453067
H 6.350560 2.526209 1.317234


