%chk=000228487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228487

0 1
O 0.702664 -1.974407 0.447079
O 2.567759 0.721436 -0.327678
O -0.388268 -0.831990 -1.173575
O 1.116765 2.460431 -0.445317
O -3.512773 0.370315 0.171334
O -2.953875 -1.675199 0.959280
O 0.887032 1.959662 3.161916
N 1.200367 0.004079 1.996953
C 0.479954 0.392375 0.773804
C -0.850572 1.129648 1.050339
C -1.866115 0.321637 1.854043
C 0.190907 -0.844601 -0.115049
C 1.381180 1.350826 -0.068006
C -2.795787 -0.474226 0.974597
C 1.366622 0.843958 3.114647
C 0.440102 -3.264488 -0.218449
C 3.559179 1.434404 -1.143500
C 2.173436 0.222411 4.219031
C -4.330294 -0.221873 -0.893744
C -0.748340 -3.903254 0.456741
C 3.145867 1.397732 -2.597862
C -3.470295 -0.348781 -2.132015
H -1.294463 1.463477 0.082451
H -0.614797 2.079277 1.598501
H -2.469388 1.016729 2.483076
H -1.365645 -0.366437 2.570263
H 1.671527 -0.905999 1.957168
H 0.284882 -3.087152 -1.298272
H 1.393211 -3.792343 -0.037476
H 4.463566 0.837168 -0.926778
H 3.657771 2.461778 -0.750178
H 3.213558 0.032972 3.919812
H 2.209569 0.907321 5.083711
H 1.747614 -0.724471 4.576971
H -5.135157 0.528116 -0.990523
H -4.732375 -1.189921 -0.544777
H -1.009770 -4.862325 -0.004774
H -1.647673 -3.258906 0.397359
H -0.574532 -4.077127 1.525780
H 3.938251 1.781857 -3.251280
H 2.248338 2.011341 -2.774652
H 2.905071 0.378095 -2.926829
H -3.123414 0.629689 -2.489496
H -2.558141 -0.937968 -1.930954
H -4.007217 -0.838770 -2.950974


%chk=000228487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228487

0 1
O 0.449269 -1.908118 0.288594
O 2.667966 0.777419 -0.087053
O -0.503657 -0.533606 -1.340589
O 1.142417 2.458191 -0.631863
O -3.780621 0.312004 0.224793
O -2.624799 -1.585401 0.941646
O 1.728379 2.050703 2.658189
N 0.985251 -0.029333 1.958529
C 0.397527 0.488874 0.715774
C -0.876574 1.356660 0.970595
C -1.998579 0.656956 1.785557
C 0.061706 -0.687088 -0.236911
C 1.423565 1.388895 -0.059230
C -2.803727 -0.341705 0.971018
C 1.642672 0.796342 2.849209
C 0.050927 -3.152615 -0.450674
C 3.751635 1.527366 -0.800843
C 2.267569 0.105362 4.054463
C -4.560243 -0.507183 -0.758609
C -0.459782 -4.157162 0.578294
C 3.713774 1.236500 -2.303224
C -3.923361 -0.386175 -2.145477
H -1.259819 1.704688 -0.002391
H -0.533616 2.244155 1.528393
H -2.685402 1.440799 2.147812
H -1.567120 0.133963 2.656243
H 1.027799 -1.047786 2.045731
H -0.720111 -2.874070 -1.188192
H 0.959119 -3.497384 -0.975718
H 4.673805 1.156397 -0.326178
H 3.621238 2.603021 -0.590433
H 3.367568 0.151825 3.966302
H 1.988409 0.653442 4.969708
H 1.963732 -0.950289 4.158711
H -5.572512 -0.073055 -0.723288
H -4.579934 -1.552453 -0.403510
H -0.737386 -5.097647 0.066997
H -1.350286 -3.750880 1.084197
H 0.313969 -4.392058 1.330014
H 4.568018 1.735066 -2.798154
H 2.783161 1.619190 -2.753888
H 3.787087 0.152473 -2.497729
H -3.907619 0.665117 -2.480516
H -2.885789 -0.759917 -2.137635
H -4.509321 -0.974988 -2.875968


