%chk=000245039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245039

0 1
O -4.578826 -1.374335 -1.012721
O -5.462122 -1.140011 1.880762
O -2.213853 -0.285129 -1.641165
O 0.052366 1.808151 1.127203
O 1.439060 2.766776 -1.987099
N 3.007486 0.033694 -1.401532
C -1.867872 0.575214 0.560251
C -0.036495 1.085832 -1.141369
C -0.563285 1.208200 0.266395
C 2.476414 1.037317 -0.710960
C -2.654380 -0.127930 -0.362036
C 1.303326 1.753701 -1.352280
C 4.647958 -0.245770 0.411307
C 4.106355 -0.620898 -0.851897
C -3.907724 -0.689687 -0.001298
C -2.363242 0.683310 1.886500
C -4.343023 -0.605181 1.330468
C 2.944320 1.470707 0.571693
C 4.024637 0.828749 1.120907
C -3.556196 0.107798 2.275156
C 5.780011 -0.957698 0.915594
C 4.697931 -1.698344 -1.591027
C 6.329753 -1.984848 0.190281
C 5.783030 -2.358128 -1.074748
C -5.501524 -0.523573 -1.756924
C -6.299064 -2.010678 1.069647
H 0.027836 0.009017 -1.437416
H -0.782326 1.509647 -1.857696
H -1.754543 1.240197 2.612958
H 2.415207 2.278264 1.084751
H -3.915434 0.179794 3.301382
H 4.418499 1.120294 2.094770
H 6.192731 -0.666961 1.880787
H 4.263791 -1.961954 -2.556604
H 7.193104 -2.532987 0.565580
H 6.248124 -3.178036 -1.621629
H -2.834410 -0.900867 -2.155071
H -4.971237 0.322151 -2.201880
H -6.302765 -0.174843 -1.098985
H -5.881942 -1.209725 -2.521489
H -6.923038 -1.392707 0.417858
H -6.894393 -2.524637 1.834365
H -5.690344 -2.712784 0.487311


%chk=000245039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245039

0 1
O -4.604518 -0.892374 -1.488666
O -5.437847 -1.570544 1.279409
O -2.316672 0.388156 -1.912708
O 0.119861 1.662220 1.403363
O 1.529402 3.522460 -1.178008
N 2.459127 0.117114 -0.541387
C -1.804345 0.551217 0.499007
C 0.060911 1.581143 -1.027171
C -0.503305 1.285394 0.365256
C 2.612004 1.460094 -0.570979
C -2.634133 0.131587 -0.577518
C 1.406798 2.288280 -0.940324
C 4.851165 -0.071411 0.104490
C 3.560274 -0.655941 -0.210265
C -3.854845 -0.554842 -0.325056
C -2.250914 0.254539 1.821203
C -4.242996 -0.884314 0.993431
C 3.851371 2.124230 -0.279583
C 4.962927 1.358364 0.058942
C -3.436699 -0.449259 2.074989
C 5.942845 -0.933231 0.441246
C 3.409705 -2.079926 -0.178141
C 5.767706 -2.319532 0.465487
C 4.493628 -2.895745 0.154009
C -5.935328 -0.227797 -1.567436
C -5.571061 -2.913636 0.661558
H 0.157814 0.626182 -1.574050
H -0.651296 2.211834 -1.587766
H -1.608366 0.590992 2.641002
H 3.876508 3.215765 -0.330453
H -3.757276 -0.690284 3.092249
H 5.923093 1.832094 0.294120
H 6.917793 -0.491275 0.679707
H 2.425006 -2.493154 -0.417188
H 6.606696 -2.974833 0.724092
H 4.374204 -3.984326 0.179403
H -3.041075 -0.029653 -2.462903
H -5.812284 0.870515 -1.590403
H -6.555801 -0.516419 -0.701751
H -6.386609 -0.584233 -2.505366
H -5.467742 -2.863557 -0.436894
H -6.576250 -3.261281 0.942389
H -4.805575 -3.593511 1.078766


