%chk=000272917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272917

0 1
O 3.054265 1.817933 3.377900
O 2.371913 -5.216989 -2.418985
O -1.474715 3.195319 1.538109
O -4.577817 -2.017499 -4.188584
O -3.116135 -3.473679 -3.586177
O 4.361921 0.008566 3.735225
O -3.288265 3.186981 0.134810
N -1.507019 -3.058589 -1.621615
N 1.330778 -1.269273 -1.852994
N -3.305242 0.756669 -1.371476
N 1.238831 -4.993980 -1.652856
N -3.648201 -2.367115 -3.460754
N -1.809233 1.329323 0.387975
N -4.808524 0.291969 -3.046823
C -0.372965 -3.479696 -0.772232
C 1.533528 -2.625107 -2.383399
C 0.852776 -3.750798 -1.626605
C -2.091181 -1.820347 -1.557237
C -3.172937 -1.474030 -2.461748
C 1.867379 -0.859293 -0.626748
C -1.651651 -0.867130 -0.617569
C -2.279536 0.393562 -0.554832
C -3.762707 -0.158784 -2.298739
C 1.500651 0.425717 -0.141729
C 2.782863 -1.652062 0.106212
C 2.959496 0.110309 1.769741
C 2.054306 0.900496 1.037890
C 3.323796 -1.160881 1.287072
C 3.554886 0.577058 3.031159
C -2.334937 2.632679 0.606984
C 3.575596 2.443483 4.592465
C -1.822765 4.532475 2.031810
C 4.933787 3.052965 4.313053
C -2.985247 4.445316 2.994689
H -0.677229 -4.402019 -0.209716
H -0.121765 -2.714301 0.006238
H 1.173775 -2.645351 -3.444279
H 2.635002 -2.839395 -2.440173
H -1.828940 -3.759735 -2.320995
H 0.484213 -0.797894 -2.176982
H -0.862685 -1.119790 0.087425
H 0.824312 1.052735 -0.718388
H 3.077739 -2.635016 -0.252543
H 1.790318 1.895528 1.412838
H 4.038365 -1.762706 1.859646
H -1.000409 1.052117 0.966982
H -5.237187 -0.280919 -3.777275
H -5.177731 1.224485 -2.887817
H 2.791189 3.195458 4.791647
H 3.608392 1.683831 5.394199
H 2.527023 -6.217852 -2.304730
H -2.031490 5.180809 1.162143
H -0.867991 4.812206 2.516353
H 5.687566 2.270794 4.133328
H 4.913931 3.691767 3.421093
H 5.283864 3.660004 5.155470
H -3.164079 5.404635 3.496030
H -2.813265 3.690231 3.773127
H -3.917012 4.169510 2.476185


%chk=000272917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272917

0 1
O 3.036042 1.976342 3.369612
O 2.459093 -5.278147 -2.489983
O -1.424238 3.180263 1.489841
O -4.781843 -2.090473 -4.214630
O -3.167786 -3.576374 -3.638727
O 4.129391 -0.020358 3.906351
O -3.373131 3.216866 0.160731
N -1.481963 -3.039328 -1.750325
N 1.386759 -1.374847 -1.851859
N -3.422656 0.742797 -1.414861
N 1.224760 -5.100864 -1.709768
N -3.746099 -2.401018 -3.471434
N -1.871636 1.351014 0.274829
N -4.953826 0.225717 -3.049604
C -0.403243 -3.556049 -0.895892
C 1.641599 -2.710812 -2.382460
C 0.872610 -3.833799 -1.681943
C -2.108384 -1.819563 -1.639966
C -3.247704 -1.483085 -2.497653
C 1.893624 -0.892679 -0.647959
C -1.690286 -0.837649 -0.705909
C -2.363602 0.406861 -0.642671
C -3.873858 -0.176048 -2.319297
C 1.600137 0.452023 -0.250598
C 2.694042 -1.701348 0.217205
C 2.877298 0.155968 1.822810
C 2.082529 0.964117 0.962716
C 3.174992 -1.174671 1.427028
C 3.416599 0.648442 3.111934
C -2.355884 2.631754 0.576287
C 3.560145 2.577033 4.630937
C -1.769270 4.528226 2.025427
C 4.948356 3.184678 4.407112
C -2.706254 4.415417 3.231132
H -0.724074 -4.510329 -0.438880
H -0.189347 -2.853908 -0.074850
H 1.376033 -2.720438 -3.456091
H 2.720225 -2.954676 -2.343488
H -1.897480 -3.660254 -2.470735
H 0.746410 -0.771202 -2.366901
H -0.853844 -1.027132 -0.032932
H 1.015197 1.093513 -0.922155
H 2.938223 -2.732875 -0.055417
H 1.860069 1.994524 1.255052
H 3.790892 -1.787745 2.093776
H -1.021299 1.096351 0.786805
H -5.343916 -0.416884 -3.747929
H -5.320439 1.155824 -2.847644
H 2.809910 3.342772 4.887330
H 3.588865 1.794449 5.409349
H 2.624120 -6.252342 -2.406926
H -2.228684 5.120118 1.214043
H -0.790897 4.955119 2.298245
H 5.682301 2.398598 4.163111
H 4.928144 3.922782 3.586624
H 5.285186 3.698147 5.327059
H -2.881726 5.418723 3.662076
H -2.265164 3.775173 4.014462
H -3.681416 3.995986 2.931401


