%chk=000227669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227669

0 1
O 0.080453 2.206643 0.945090
O 4.749543 0.952830 -0.804733
C -0.451791 0.272545 -0.426859
C 0.345070 -0.866843 0.272838
C -1.934734 0.302090 0.081498
C 1.768856 -0.855472 -0.300989
C 2.482050 0.486908 0.037161
C -2.555932 -1.090543 -0.269392
C 0.263603 1.646619 -0.373845
C -0.322099 -2.233853 0.031834
C 1.768095 1.603811 -0.726523
C -1.799588 -2.228171 0.437903
C -2.722824 1.389569 -0.699054
C 2.779573 -1.937403 0.129188
C -4.058579 -1.139220 0.061739
C -2.010045 0.587503 1.586582
C 3.928829 0.170303 -0.400728
C 4.152235 -1.328962 -0.227077
C -4.231406 1.338209 -0.423094
C -4.818367 -0.050473 -0.706884
C 2.569266 0.799006 1.536189
H -0.494391 0.017157 -1.519313
H 0.367892 -0.662181 1.370559
H 1.677953 -0.928703 -1.417182
H -2.449897 -1.238841 -1.373161
H -0.248391 2.354095 -1.071512
H 0.216942 -3.013735 0.601819
H -0.230353 -2.520308 -1.033356
H 1.893496 1.464714 -1.817549
H 2.241146 2.580745 -0.509170
H -2.259335 -3.202099 0.186739
H -1.893562 -2.124896 1.535638
H -2.545637 1.275675 -1.783873
H -2.338167 2.389989 -0.421360
H 2.607054 -2.890279 -0.394551
H 2.704803 -2.154505 1.207979
H -4.212947 -1.010070 1.150301
H -4.469183 -2.134089 -0.189454
H -1.346884 -0.069405 2.158754
H -1.694575 1.618281 1.807403
H -3.026485 0.461088 1.970676
H 4.567833 -1.761461 -1.154622
H 4.910137 -1.518251 0.552420
H -4.747135 2.097955 -1.039653
H -4.426450 1.617820 0.630722
H -5.888876 -0.071096 -0.430786
H -4.779063 -0.260054 -1.792845
H 3.014883 -0.021261 2.107689
H 3.163257 1.700166 1.721974
H 1.561902 0.973306 1.953372
H 0.705823 2.941249 1.094500


%chk=000227669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227669

0 1
O 0.136722 2.291963 1.056001
O 4.740259 0.944303 -1.044309
C -0.458047 0.285573 -0.288589
C 0.354559 -0.871306 0.388376
C -1.974518 0.308537 0.158165
C 1.781988 -0.866099 -0.195592
C 2.525671 0.484217 0.017654
C -2.575244 -1.088840 -0.255518
C 0.264793 1.665954 -0.285966
C -0.328791 -2.239533 0.125588
C 1.756307 1.594124 -0.720552
C -1.839438 -2.251125 0.448606
C -2.735416 1.416360 -0.636638
C 2.820725 -1.940595 0.227800
C -4.110037 -1.162779 -0.070837
C -2.141755 0.561650 1.684005
C 3.922090 0.141560 -0.533917
C 4.151402 -1.377956 -0.352987
C -4.272903 1.352231 -0.473714
C -4.829854 -0.039737 -0.853274
C 2.766306 0.832890 1.522968
H -0.485310 0.021884 -1.374340
H 0.406140 -0.698175 1.481317
H 1.659761 -0.976007 -1.300810
H -2.385561 -1.196260 -1.350149
H -0.259624 2.322003 -1.014195
H 0.190190 -3.029569 0.703228
H -0.194316 -2.492978 -0.948876
H 1.793792 1.395607 -1.811004
H 2.237630 2.582593 -0.572370
H -2.279090 -3.216654 0.125881
H -1.997868 -2.187637 1.543360
H -2.489221 1.314297 -1.716814
H -2.375537 2.412344 -0.314213
H 2.582444 -2.940438 -0.172940
H 2.871622 -2.030682 1.329024
H -4.371077 -1.097142 1.005094
H -4.467412 -2.154443 -0.415575
H -1.528869 -0.125715 2.291759
H -1.822388 1.585038 1.931707
H -3.191395 0.428385 1.999614
H 4.376903 -1.805930 -1.348954
H 5.041744 -1.562060 0.275012
H -4.743143 2.133579 -1.102960
H -4.548759 1.586519 0.573356
H -5.921653 -0.079865 -0.671171
H -4.680183 -0.205218 -1.941053
H 3.353873 0.052330 2.039341
H 3.336122 1.777944 1.591343
H 1.808378 0.967970 2.048168
H 0.691986 3.112986 1.062952


