%chk=000220348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220348

0 1
O -0.026894 -2.406171 -1.517596
O 2.049906 -2.009219 2.191387
O -4.567548 0.872734 1.305989
C 2.365615 0.130248 -0.941248
C 1.463758 1.394061 -0.789399
C 2.736077 -0.584905 0.399260
C 2.093219 2.339732 0.264128
C 3.289269 0.445114 1.414186
C 1.787774 -0.833475 -1.993423
C 2.353368 1.640037 1.599143
C 0.031139 1.001371 -0.458110
C 0.268564 -1.050069 -1.951032
C 1.414142 2.165393 -2.130700
C 1.527845 -1.316213 1.028605
C -0.515477 -0.174474 -1.003421
C 3.840740 -1.626409 0.121896
C -0.783917 1.804652 0.352905
C -1.829059 -0.555189 -0.696515
C -2.623597 0.241541 0.135243
C -2.095270 1.432126 0.650216
C -4.043664 -0.190230 0.469628
C -4.058541 -1.488056 1.282984
C -4.919388 -0.280052 -0.784261
H 3.344885 0.499565 -1.348959
H 1.442116 3.221571 0.419464
H 3.045737 2.741445 -0.133092
H 4.287860 0.792885 1.094365
H 3.439982 -0.070019 2.386852
H 2.296859 -1.817957 -1.894353
H 2.068527 -0.461260 -2.998650
H 2.792197 2.353915 2.321323
H 1.396475 1.305166 2.048510
H -0.159006 -0.953224 -2.979847
H 2.415002 2.427686 -2.485119
H 0.924164 1.583019 -2.917226
H 0.845143 3.096249 -2.025144
H 1.084368 -2.066272 0.347224
H 0.748325 -0.612713 1.367735
H 3.528786 -2.355600 -0.633437
H 4.771946 -1.165027 -0.213177
H 4.055757 -2.193584 1.040938
H -0.390954 2.735549 0.763691
H -2.215120 -1.491164 -1.105333
H 0.495595 -3.051644 -2.026884
H -2.718374 2.065367 1.288382
H 1.322212 -2.473046 2.640574
H -5.074390 -1.821228 1.512007
H -3.554641 -2.304643 0.753426
H -3.532946 -1.346580 2.236938
H -5.948397 -0.564848 -0.547378
H -4.531183 -1.012505 -1.499790
H -4.955888 0.691707 -1.294705
H -5.477496 0.677144 1.587000


%chk=000220348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220348

0 1
O -0.067049 -2.488566 -1.523104
O 2.175285 -2.029682 2.317567
O -4.713774 0.899534 1.300907
C 2.367358 0.110904 -0.913786
C 1.470753 1.396631 -0.767843
C 2.789163 -0.598840 0.435335
C 2.129942 2.352916 0.268580
C 3.378497 0.468743 1.407846
C 1.772939 -0.822830 -2.002486
C 2.451163 1.683125 1.618752
C 0.023713 0.995112 -0.421921
C 0.239465 -1.084883 -1.934649
C 1.427759 2.164244 -2.129304
C 1.618737 -1.341480 1.127291
C -0.544368 -0.181642 -0.990907
C 3.910664 -1.632606 0.131564
C -0.807222 1.790815 0.406328
C -1.883929 -0.534461 -0.703660
C -2.698557 0.257607 0.136692
C -2.143385 1.436517 0.686736
C -4.139692 -0.172991 0.445840
C -4.154806 -1.503976 1.240280
C -4.984570 -0.278381 -0.848398
H 3.334627 0.479032 -1.323917
H 1.505490 3.255815 0.409983
H 3.081738 2.711241 -0.177478
H 4.345741 0.826050 0.994222
H 3.596336 -0.025208 2.372135
H 2.292306 -1.798705 -1.979712
H 2.001546 -0.379407 -2.989310
H 2.941795 2.414453 2.290527
H 1.517058 1.371548 2.124670
H -0.172305 -0.954491 -2.961336
H 2.453213 2.375865 -2.489896
H 0.891443 1.603006 -2.914583
H 0.902721 3.128778 -1.999515
H 1.166164 -2.077331 0.434356
H 0.832623 -0.631625 1.446177
H 3.535810 -2.500352 -0.441655
H 4.731528 -1.163649 -0.444703
H 4.320269 -2.024543 1.077086
H -0.406941 2.704748 0.856659
H -2.266193 -1.464927 -1.137681
H 0.318344 -3.096457 -2.205294
H -2.766682 2.060821 1.331256
H 1.448168 -2.542592 2.748966
H -5.194753 -1.817959 1.457620
H -3.665022 -2.315800 0.674346
H -3.617388 -1.374315 2.195331
H -6.021700 -0.586938 -0.611734
H -4.563130 -1.021632 -1.547910
H -5.014460 0.700715 -1.356206
H -5.640828 0.640551 1.535138


