%chk=000221575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221575

0 1
P 4.307779 -0.049333 0.780104
O 5.896572 -0.523180 1.316966
O 4.572183 0.992500 -0.597790
O 4.198023 -2.205338 -1.005002
O 3.462332 0.578126 1.978606
C -2.850186 -0.879903 0.170248
C -3.948823 0.085982 -0.327579
C -1.424142 -0.447167 -0.240147
C -5.374294 -0.350837 0.079517
C -0.332730 -1.418945 0.261901
C -6.476474 0.609360 -0.421982
C 1.088386 -0.990075 -0.166782
C -7.902234 0.166248 -0.022682
C 2.165156 -1.981402 0.381147
C -9.005482 1.125163 -0.525805
C 3.541290 -1.620063 -0.114146
C -10.427190 0.666359 -0.135094
C 6.960523 -0.896162 0.330166
C 4.634136 2.471300 -0.372945
C 8.247098 -1.044896 1.137072
C 3.241542 3.097797 -0.476470
H -3.051424 -1.897633 -0.225092
H -2.905503 -0.959009 1.276112
H -3.749735 1.103867 0.068042
H -3.893243 0.165920 -1.433629
H -1.220668 0.569759 0.154262
H -1.369711 -0.371228 -1.346279
H -5.432025 -0.429108 1.185512
H -5.570474 -1.370268 -0.314192
H -0.378045 -1.483550 1.368424
H -0.543098 -2.437821 -0.124407
H -6.284282 1.628070 -0.024571
H -6.415718 0.691103 -1.527720
H 1.298395 0.026224 0.217894
H 1.151397 -0.951551 -1.271765
H -8.094759 -0.852282 -0.420639
H -7.965881 0.084213 1.082821
H 1.929400 -3.010409 0.055376
H 2.148438 -1.924492 1.486519
H -8.934520 1.213985 -1.629361
H -8.817942 2.140430 -0.120205
H -10.649390 -0.332923 -0.555107
H -11.197153 1.367903 -0.505888
H -10.533353 0.598096 0.964213
H 7.037642 -0.099948 -0.433588
H 6.671371 -1.839977 -0.168454
H 5.306248 2.824866 -1.173188
H 5.096077 2.683753 0.610129
H 9.082560 -1.316173 0.464722
H 8.139851 -1.834835 1.899583
H 8.498122 -0.099962 1.648067
H 3.320014 4.200141 -0.419423
H 2.598636 2.751481 0.350544
H 2.769004 2.834026 -1.438511


%chk=000221575-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221575

0 1
P 4.268576 -0.195372 0.895405
O 5.961778 -0.449122 1.204268
O 4.200986 0.842606 -0.511942
O 4.267733 -2.493787 -0.701848
O 3.521548 0.337081 2.199992
C -2.811477 -0.950412 0.242055
C -3.867051 0.005219 -0.358322
C -1.368933 -0.612579 -0.197908
C -5.312908 -0.324980 0.075594
C -0.310754 -1.565769 0.401466
C -6.364344 0.631461 -0.531228
C 1.122569 -1.214573 -0.055085
C -7.811953 0.311346 -0.095639
C 2.174488 -2.187963 0.566041
C -8.860189 1.267395 -0.709763
C 3.566250 -1.849984 0.100142
C -10.303542 0.949374 -0.263237
C 6.924281 -0.716258 0.087074
C 4.287485 2.324336 -0.317912
C 8.318257 -0.555220 0.686714
C 2.909418 2.929012 -0.036183
H -3.051319 -1.993480 -0.052999
H -2.874631 -0.917549 1.349750
H -3.625961 1.048067 -0.063328
H -3.801510 -0.026852 -1.466231
H -1.131095 0.430437 0.097679
H -1.307732 -0.645288 -1.305771
H -5.380797 -0.289061 1.183131
H -5.554968 -1.368454 -0.216550
H -0.362864 -1.525358 1.508773
H -0.549061 -2.609713 0.109969
H -6.118284 1.675272 -0.243237
H -6.298394 0.591995 -1.638951
H 1.358237 -0.176078 0.246755
H 1.188692 -1.260011 -1.159405
H -8.059824 -0.733129 -0.379586
H -7.881369 0.356311 1.011595
H 1.943703 -3.229334 0.279126
H 2.127953 -2.083783 1.667544
H -8.794270 1.216851 -1.815977
H -8.607080 2.311073 -0.431503
H -10.591825 -0.078185 -0.555762
H -11.032107 1.646441 -0.716919
H -10.403674 1.024180 0.836204
H 6.737495 0.003697 -0.731924
H 6.748573 -1.739664 -0.290682
H 4.707051 2.683191 -1.273168
H 4.999962 2.553182 0.498250
H 9.084793 -0.762400 -0.083509
H 8.463342 -1.259645 1.523144
H 8.466544 0.470139 1.065962
H 2.985275 4.032351 0.003586
H 2.518596 2.569790 0.930802
H 2.198030 2.661401 -0.836949


