%chk=000262972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262972

0 1
O 4.384384 -0.534427 -0.165581
O 1.683640 1.777997 -0.288127
O 3.130018 -1.862182 1.259232
O 1.624407 -1.012005 -1.110935
O 1.819784 3.558128 1.097849
O 4.930203 -3.056555 1.934508
O -0.031343 -0.097740 -2.360743
O -4.315349 3.826246 -2.893378
O -4.614503 5.164856 -1.218850
O -4.299343 -3.751899 1.877109
O -2.623329 -4.100189 3.202297
N -3.961267 4.355964 -1.854623
N -3.126227 -3.647302 2.188028
C 3.004398 1.358595 0.150360
C 3.601825 0.418650 -0.929638
C 2.929061 0.508496 1.426681
C 3.908046 -0.640094 1.182178
C 2.644767 -0.307383 -1.876368
C 1.190906 2.952596 0.264259
C 3.784802 -3.053999 1.564721
C -0.138559 3.283675 -0.311300
C 0.309827 -0.791388 -1.427193
C 2.835086 -4.183448 1.392701
C -0.563225 -1.542179 -0.480195
C -0.577837 2.723153 -1.516610
C -0.938379 4.202565 0.391157
C -1.831679 3.072248 -2.026594
C -2.189614 4.555713 -0.111988
C -1.914990 -1.714509 -0.814336
C -0.044581 -2.050205 0.719449
C -2.623257 3.983265 -1.317375
C -2.759031 -2.404170 0.058172
C -0.882940 -2.738493 1.596825
C -2.231741 -2.908964 1.254648
H 3.626117 2.272451 0.292612
H 4.380780 0.938656 -1.540678
H 3.175074 1.088907 2.333499
H 1.897178 0.122874 1.576656
H 4.814112 -0.723157 1.813162
H 2.169572 0.390945 -2.593749
H 3.174085 -1.124160 -2.408228
H 2.163842 -4.035389 0.530823
H 2.202793 -4.316246 2.284683
H 3.380708 -5.129818 1.236813
H 0.052455 2.001654 -2.057674
H -0.573069 4.640488 1.326238
H -2.193497 2.638060 -2.967026
H -2.830920 5.270003 0.417954
H -2.301666 -1.306784 -1.754527
H 1.023861 -1.906419 0.956050
H -3.819063 -2.551748 -0.180934
H -0.502823 -3.141635 2.541988


%chk=000262972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262972

0 1
O 4.351395 -0.509191 -0.233582
O 1.582941 1.861794 -0.419026
O 3.263521 -1.941344 1.389944
O 1.516023 -1.107041 -1.100252
O 1.753612 3.566637 1.163560
O 5.342170 -2.749619 2.122502
O -0.274871 -0.279470 -2.355363
O -4.412362 4.464097 -2.839970
O -4.308042 6.168590 -1.327487
O -4.460156 -4.257914 1.716494
O -2.644238 -4.870350 2.954157
N -3.841880 5.094958 -1.870216
N -3.198515 -4.227484 1.982160
C 2.881867 1.335613 0.058473
C 3.483035 0.398510 -1.020345
C 2.762399 0.456104 1.325503
C 3.862596 -0.605053 1.145576
C 2.490879 -0.346649 -1.916459
C 1.126503 3.026510 0.221915
C 4.144849 -2.958112 1.851142
C -0.160192 3.520379 -0.351341
C 0.165682 -0.998017 -1.423778
C 3.403404 -4.270444 1.958494
C -0.676825 -1.843934 -0.524352
C -0.818090 2.861301 -1.423154
C -0.717235 4.696414 0.218739
C -2.028593 3.377854 -1.924108
C -1.925079 5.219792 -0.274166
C -2.071750 -1.902979 -0.778765
C -0.110229 -2.567937 0.558220
C -2.561023 4.548147 -1.341702
C -2.907698 -2.683767 0.039795
C -0.938472 -3.350874 1.384045
C -2.322951 -3.396193 1.109877
H 3.553270 2.191021 0.246424
H 4.166613 0.945089 -1.695602
H 2.888943 1.040940 2.248084
H 1.779370 -0.041260 1.342857
H 4.746476 -0.512317 1.796302
H 1.949126 0.356245 -2.573249
H 3.040588 -1.088553 -2.520426
H 3.035427 -4.577330 0.963758
H 2.526670 -4.163269 2.620954
H 4.075190 -5.043468 2.357558
H -0.396141 1.951098 -1.857056
H -0.188313 5.182799 1.044096
H -2.559018 2.893669 -2.747652
H -2.378723 6.122069 0.143128
H -2.479659 -1.333682 -1.619597
H 0.967271 -2.506343 0.740104
H -3.985078 -2.752196 -0.129777
H -0.541187 -3.921142 2.227567


