%chk=000217348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217348

0 1
O -1.439755 -1.012524 -1.706584
O -2.089347 -0.917487 1.604879
O 4.485985 -0.573175 0.937294
N -4.400428 0.822513 1.495422
N 4.011299 0.124619 -1.237313
N 6.237823 0.129817 -0.402409
C -4.153903 -0.239588 0.478033
C -2.628389 -0.444835 0.356785
C -4.328164 2.217417 0.956987
C -2.254873 -1.552866 -0.640942
C -5.474763 2.557888 -0.009089
C -4.327923 3.174016 2.156588
C -0.095871 -0.776135 -1.459418
C 0.611766 -0.424279 -2.624298
C 0.531023 -0.850907 -0.210935
C 2.617351 -0.219520 -1.273571
C 1.970747 -0.147540 -2.527682
C 1.894529 -0.572775 -0.120966
C 4.865682 -0.132372 -0.134422
C 7.151671 0.132216 0.764777
H -4.584366 -0.013482 -0.521160
H -4.624620 -1.184963 0.827439
H -2.110996 0.509538 0.099908
H -3.352805 2.318885 0.410465
H -5.304169 0.661991 1.950714
H -3.113808 -1.944523 -1.215364
H -1.735056 -2.388568 -0.133117
H -5.381819 3.584471 -0.381229
H -6.455413 2.480046 0.470896
H -5.478736 1.898417 -0.883251
H -4.142804 4.204692 1.836811
H -5.279043 3.162090 2.698877
H -3.542473 2.902343 2.874439
H -2.433920 -0.361965 2.346232
H 0.089712 -0.376903 -3.577395
H -0.029426 -1.112230 0.692473
H 2.524706 0.122535 -3.424237
H 2.397574 -0.636347 0.852180
H 4.427577 0.341104 -2.143508
H 6.485306 0.804485 -1.121925
H 7.240795 1.122174 1.238863
H 6.789172 -0.577774 1.536490
H 8.147855 -0.207099 0.435564


%chk=000217348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217348

0 1
O -1.264093 -0.865260 -1.926726
O -1.950955 0.124191 1.229312
O 4.655981 -0.109982 1.130879
N -4.496169 0.772197 1.476499
N 4.334051 -0.331305 -1.201494
N 6.490649 -0.090579 -0.320197
C -4.200196 -0.137644 0.343419
C -2.691462 0.013021 -0.027219
C -4.766692 2.206724 1.154253
C -2.200168 -1.198056 -0.843270
C -6.116649 2.426248 0.423570
C -4.696481 3.029146 2.456625
C 0.112136 -0.722629 -1.633042
C 0.967589 -0.746114 -2.760315
C 0.653440 -0.553520 -0.337287
C 2.915527 -0.455254 -1.289447
C 2.355980 -0.610311 -2.588149
C 2.050114 -0.425457 -0.166106
C 5.118380 -0.173988 -0.049037
C 7.463829 0.078238 0.761075
H -4.828161 0.034499 -0.557152
H -4.381286 -1.173268 0.689970
H -2.544539 0.926318 -0.644043
H -3.945550 2.535930 0.487874
H -5.200142 0.393914 2.123569
H -3.048379 -1.656216 -1.384397
H -1.759300 -1.941960 -0.150840
H -6.233445 3.484170 0.124665
H -6.963304 2.165454 1.087564
H -6.191567 1.809704 -0.490437
H -4.857764 4.102553 2.251822
H -5.479060 2.701979 3.169159
H -3.713672 2.907462 2.943892
H -2.645001 0.510654 1.861077
H 0.531258 -0.876884 -3.755290
H -0.003726 -0.476095 0.535145
H 3.010686 -0.632324 -3.469906
H 2.475619 -0.291798 0.830074
H 4.820831 -0.365341 -2.099468
H 6.834379 -0.152084 -1.278712
H 8.043126 1.013970 0.645575
H 6.895782 0.128394 1.704056
H 8.166108 -0.775298 0.815761


