%chk=000289966.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289966

0 1
O 4.197628 -1.264708 0.401490
O 2.053191 -2.915089 -0.072655
O 5.279361 -0.226048 2.055855
O -1.679895 -1.107642 -0.272057
O 5.081749 2.646285 -0.854702
C 3.191917 0.591477 -0.783502
C 3.291423 -0.959696 -0.719878
C 3.879968 1.093202 0.509948
C 1.812003 1.142929 -0.913484
C 2.000126 -1.740332 -0.360279
C 3.921585 -1.579005 -1.952256
C 4.546154 -0.132329 1.108772
C 0.691250 0.417963 -0.748553
C 0.716987 -1.012589 -0.428848
C 4.874887 2.231470 0.260128
C -0.650948 0.992455 -0.861701
C -0.441636 -1.680199 -0.202678
C 5.530356 2.779148 1.483770
C -1.759506 0.261933 -0.628284
C -3.150791 0.691964 -0.688994
C -4.190470 -0.079367 -0.327880
C -5.602015 0.341554 -0.373008
C -7.972472 0.021685 0.465528
C -6.501379 -0.302885 0.393272
C -5.952113 1.477075 -1.282462
C -8.295679 0.630625 1.836428
C -8.799223 -1.245076 0.210175
H 3.790087 0.952854 -1.670131
H 3.108282 1.462294 1.236201
H 1.775707 2.204321 -1.156935
H 3.306889 -1.428780 -2.847769
H 4.919469 -1.163228 -2.149466
H 4.062791 -2.664902 -1.813032
H -0.720990 2.044380 -1.139054
H -0.563300 -2.734955 0.057319
H 4.834055 3.366027 2.097828
H 5.927913 1.978530 2.137296
H 6.372761 3.440186 1.228157
H -3.287027 1.715228 -1.053104
H -4.016585 -1.100049 0.039976
H -8.234710 0.775739 -0.325232
H -6.197897 -1.126566 1.042854
H -7.042228 1.592135 -1.397441
H -5.535859 1.331482 -2.288569
H -5.568986 2.430553 -0.893600
H -7.701245 1.532626 2.020251
H -9.352790 0.908766 1.906274
H -8.088499 -0.070121 2.652828
H -8.550016 -1.693823 -0.758026
H -8.629479 -2.007033 0.978853
H -9.871801 -1.022268 0.205579


%chk=000289966-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289966

0 1
O 4.592513 -1.329441 0.086755
O 2.253628 -2.564439 1.000877
O 5.987140 -0.134322 1.500212
O -1.585205 -0.927304 0.273519
O 4.844030 2.828776 -1.020435
C 3.298887 0.456627 -0.887193
C 3.310523 -1.083434 -0.659889
C 4.039569 0.997784 0.369004
C 1.932351 1.040836 -1.136935
C 2.123777 -1.585763 0.213501
C 3.367382 -1.913914 -1.948858
C 4.995800 -0.163717 0.754078
C 0.780804 0.409504 -0.725864
C 0.832790 -0.887548 -0.016382
C 4.786439 2.329866 0.133518
C -0.562397 0.948508 -0.910779
C -0.324193 -1.469115 0.442759
C 5.422759 2.970395 1.347388
C -1.695175 0.322644 -0.437318
C -3.057874 0.788783 -0.570810
C -4.164760 0.124164 -0.091370
C -5.552457 0.575787 -0.217446
C -8.036702 -0.019864 0.330016
C -6.538520 -0.226502 0.315679
C -5.820335 1.893160 -0.926002
C -8.552791 0.056335 1.794671
C -8.742823 -1.175205 -0.434427
H 3.954159 0.684507 -1.750928
H 3.344059 1.140196 1.221653
H 1.886870 2.011629 -1.642044
H 2.466161 -1.732933 -2.560788
H 4.256572 -1.627373 -2.536373
H 3.429158 -2.988238 -1.708638
H -0.688368 1.897088 -1.442042
H -0.349890 -2.420206 0.978642
H 4.647809 3.227347 2.095386
H 6.101627 2.242283 1.831379
H 5.972336 3.879214 1.059901
H -3.165789 1.742330 -1.100147
H -4.004596 -0.828531 0.430647
H -8.295501 0.930852 -0.173480
H -6.212085 -1.160127 0.805688
H -6.892046 2.143104 -0.955458
H -5.454183 1.861701 -1.970094
H -5.295072 2.726147 -0.420762
H -8.086167 0.895120 2.341256
H -9.649685 0.196231 1.811578
H -8.321580 -0.877789 2.341067
H -8.414119 -1.218643 -1.488022
H -8.515939 -2.151427 0.034688
H -9.839890 -1.036890 -0.416174


