%chk=000268147.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268147

0 1
O -0.064108 0.718067 0.301680
O 4.429443 -3.603798 0.542948
O -0.456197 0.374775 2.504100
O -6.945522 -1.358569 0.436171
O -6.201332 -1.600995 -1.581243
N -6.062426 -1.318258 -0.403262
C 1.334888 1.125127 0.597663
C 2.173394 -0.119593 0.515454
C 1.664880 2.186658 -0.424036
C 2.345205 -0.896975 1.680705
C 2.761997 -0.532138 -0.685099
C 2.810807 2.972255 -0.221707
C 0.860508 2.400521 -1.549937
C 3.106904 -2.055026 1.651441
C 3.535482 -1.695692 -0.741965
C 3.701580 -2.443913 0.429725
C -0.846095 0.337454 1.358593
C 3.144022 3.966076 -1.144383
C 1.197116 3.399959 -2.468260
C -2.191952 -0.089325 0.873508
C 2.337731 4.182418 -2.267790
C -3.238654 -0.156775 1.805742
C -2.401496 -0.425843 -0.471115
C -4.710111 -0.890098 0.043598
C -4.509268 -0.558508 1.390984
C -3.669314 -0.829975 -0.893475
C 5.089209 -4.112349 -0.642372
H 1.336331 1.559037 1.630465
H 1.861627 -0.585813 2.612726
H 2.621551 0.059867 -1.592536
H 3.442791 2.805456 0.649840
H -0.031018 1.790483 -1.701460
H 3.254190 -2.668207 2.537984
H 3.988484 -1.998010 -1.679462
H 4.033212 4.575122 -0.987657
H 0.567343 3.567952 -3.340583
H 2.598823 4.960191 -2.983337
H -3.051316 0.100856 2.853914
H -1.569771 -0.369595 -1.181195
H -5.342097 -0.618157 2.101237
H -3.856888 -1.098026 -1.939450
H 5.576561 -5.017243 -0.255281
H 5.829334 -3.392821 -1.003679
H 4.351450 -4.362673 -1.409894


%chk=000268147-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268147

0 1
O -0.109070 0.737421 0.146362
O 4.535436 -3.582399 0.778001
O -0.598496 0.502070 2.421816
O -6.975091 -1.817435 0.501733
O -6.344596 -1.712350 -1.687792
N -6.116234 -1.560387 -0.426564
C 1.308165 1.172434 0.488875
C 2.193338 -0.061376 0.519098
C 1.695521 2.257309 -0.512990
C 2.499144 -0.678310 1.761615
C 2.687182 -0.648654 -0.670042
C 3.058407 2.638599 -0.621249
C 0.727041 2.951460 -1.277953
C 3.280787 -1.844574 1.815809
C 3.469529 -1.821898 -0.634996
C 3.768337 -2.422058 0.615702
C -0.930685 0.394697 1.214948
C 3.443403 3.691148 -1.478945
C 1.114549 4.000461 -2.142916
C -2.263690 -0.107743 0.750666
C 2.472537 4.376172 -2.246352
C -3.238287 -0.409155 1.737089
C -2.559831 -0.289250 -0.625392
C -4.777517 -1.056145 -0.016799
C -4.506243 -0.885768 1.358927
C -3.824157 -0.767250 -1.017827
C 5.054828 -4.231834 -0.429271
H 1.251277 1.601678 1.508223
H 2.106237 -0.245161 2.688431
H 2.461995 -0.181881 -1.635600
H 3.817334 2.108005 -0.035062
H -0.325442 2.664911 -1.199216
H 3.523892 -2.327382 2.766784
H 3.836983 -2.253472 -1.570677
H 4.499311 3.975180 -1.549538
H 0.354245 4.525423 -2.732200
H 2.771308 5.191738 -2.914221
H -2.979720 -0.264513 2.790490
H -1.794137 -0.060732 -1.370760
H -5.278092 -1.125806 2.094249
H -4.084003 -0.919781 -2.068263
H 5.608862 -5.109351 -0.065750
H 5.739809 -3.561418 -0.983664
H 4.233128 -4.558725 -1.095480


