%chk=000206096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206096

0 1
O -1.992498 1.243429 0.139389
O 0.653585 2.316674 0.421597
O -2.599109 -2.843350 0.422280
N 3.911060 -0.082016 0.273171
C 3.849174 -0.067667 -1.226983
C 5.259625 0.362230 0.762284
C 4.915136 -1.014566 -1.801547
C 6.345148 -0.580266 0.215763
C 6.317406 -0.626354 -1.316885
C 2.839742 0.795566 0.852196
C 1.484431 0.151465 0.699018
C 0.353699 0.971328 0.475757
C 1.312998 -1.236133 0.808826
C -0.920551 0.372840 0.362232
C -1.079180 -1.016747 0.464811
C 0.053035 -1.815666 0.691428
C -2.420341 -1.645044 0.340106
C -3.517737 -0.680731 0.105267
C -3.259823 0.693180 0.017440
C -4.851166 -1.113890 -0.035613
C -4.273990 1.643662 -0.204111
C -0.392250 3.229771 0.005570
C -5.869938 -0.192876 -0.255333
C -5.578658 1.181395 -0.338561
H 3.977086 0.951052 -1.651563
H 2.837190 -0.419252 -1.526381
H 5.252145 0.311807 1.872804
H 5.494555 1.411610 0.482701
H 4.867929 -1.001120 -2.905294
H 4.688429 -2.054274 -1.490548
H 6.182973 -1.599601 0.620844
H 7.336801 -0.253392 0.576748
H 7.064143 -1.351255 -1.689924
H 6.607000 0.356387 -1.734004
H 2.829300 1.823347 0.414952
H 3.033595 0.926019 1.944221
H 2.197542 -1.860154 0.978204
H -0.077121 -2.899175 0.774107
H -5.060425 -2.186697 0.032327
H -4.028270 2.700176 -0.264127
H -0.777094 2.948537 -0.979320
H 0.145624 4.184389 -0.028417
H -1.191115 3.245096 0.755638
H -6.898644 -0.531820 -0.363548
H -6.388542 1.892788 -0.510821


%chk=000206096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206096

0 1
O -2.126205 1.259871 0.355405
O 0.448270 2.407143 0.618453
O -2.630456 -2.897342 -0.018328
N 3.916611 -0.003320 0.212595
C 4.032164 -0.048610 -1.268435
C 5.206122 0.361294 0.852424
C 5.105294 -1.063145 -1.711427
C 6.312841 -0.644741 0.476913
C 6.468675 -0.740519 -1.058076
C 2.800631 0.858448 0.659646
C 1.432591 0.209874 0.474946
C 0.272039 1.022840 0.436264
C 1.296988 -1.202974 0.387851
C -1.006314 0.405507 0.326438
C -1.137857 -1.006068 0.219321
C 0.038162 -1.801113 0.250417
C -2.474757 -1.638447 0.097888
C -3.623471 -0.696830 0.126370
C -3.413220 0.701099 0.260568
C -4.959936 -1.169878 0.031164
C -4.489702 1.614117 0.304272
C -0.160136 3.323952 -0.370328
C -6.042277 -0.276314 0.069621
C -5.803196 1.119118 0.208283
H 4.291582 0.965655 -1.675260
H 3.048006 -0.326828 -1.687900
H 5.059384 0.372267 1.948990
H 5.533437 1.391810 0.549057
H 5.187881 -1.051211 -2.815256
H 4.781674 -2.078982 -1.411736
H 6.043013 -1.638580 0.883873
H 7.265438 -0.335527 0.948581
H 7.218601 -1.509087 -1.324400
H 6.844271 0.227760 -1.450088
H 2.799166 1.856620 0.159388
H 2.939287 1.069869 1.739124
H 2.217125 -1.794674 0.424772
H -0.084524 -2.885847 0.173486
H -5.103193 -2.250745 -0.070433
H -4.283092 2.682418 0.416800
H 0.162937 3.058817 -1.395292
H 0.223558 4.320049 -0.102255
H -1.259698 3.304375 -0.305398
H -7.068770 -0.649228 -0.003968
H -6.646042 1.817810 0.242375


