%chk=000242437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242437

0 1
O -0.687466 -1.597095 -1.481609
O -3.578584 -1.231893 -1.321510
O -4.535879 0.324165 0.943938
O 5.145288 -1.194876 0.222280
O 1.954285 4.235410 -0.743259
N 0.696275 2.365760 -0.390638
C 1.518231 1.910866 0.761142
C 0.765132 2.119273 2.096604
C -0.021925 0.907790 2.609334
C 1.952160 0.469862 0.533432
C -0.953327 0.361157 1.564090
C 1.028616 -0.592112 0.376558
C -0.426546 -0.370887 0.480947
C -1.319473 -0.903457 -0.485687
C 3.321456 0.214812 0.469692
C -2.328017 0.604441 1.662231
C 1.508389 -1.890626 0.144746
C -2.711396 -0.696973 -0.370528
C -3.198920 0.087555 0.697090
C 3.770272 -1.101681 0.248337
C 2.876516 -2.164436 0.080683
C 1.017923 3.532093 -1.088147
C 0.124907 3.839527 -2.259124
C -1.450236 -2.020878 -2.642413
C -4.317170 -2.382803 -0.812792
C -5.332051 0.785844 -0.181541
C 5.728941 -2.497152 -0.019184
H 2.435190 2.577362 0.790765
H 0.083286 2.989090 1.992796
H 1.503551 2.413954 2.869934
H -0.577644 1.194021 3.525713
H 0.683095 0.109266 2.932944
H -0.074584 1.766062 -0.670339
H 4.057807 1.010700 0.576772
H -2.738907 1.192660 2.480594
H 0.793597 -2.704880 0.003353
H 3.218963 -3.176919 -0.097810
H 0.437977 4.787657 -2.725952
H 0.180235 3.064599 -3.034650
H -0.925974 3.953392 -1.966366
H -2.062090 -1.199782 -3.030538
H -2.074098 -2.876897 -2.373203
H -0.650485 -2.299270 -3.338989
H -3.623612 -3.186180 -0.553301
H -4.946998 -2.650923 -1.666065
H -4.916918 -2.087985 0.055057
H -5.073331 1.829782 -0.380077
H -6.352192 0.693613 0.206826
H -5.177916 0.163305 -1.070399
H 6.802695 -2.269385 0.007372
H 5.432375 -2.870430 -1.003444
H 5.455479 -3.190699 0.780833


%chk=000242437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242437

0 1
O -1.008563 -1.835395 -1.331423
O -3.766255 -1.317946 -1.093940
O -4.687565 0.407648 1.065776
O 5.145612 -1.308120 0.208568
O 2.083847 3.875895 -1.298593
N 0.578958 2.329482 -0.412236
C 1.470962 1.902611 0.690498
C 0.839966 2.194185 2.087941
C -0.047367 1.047095 2.648427
C 1.907976 0.440461 0.533550
C -1.014453 0.457335 1.634081
C 0.956494 -0.630404 0.452339
C -0.511592 -0.376025 0.581041
C -1.454712 -0.951407 -0.318448
C 3.284611 0.160402 0.444085
C -2.397255 0.721422 1.728648
C 1.444970 -1.947881 0.270003
C -2.852464 -0.711166 -0.196458
C -3.326167 0.156407 0.824237
C 3.751527 -1.166307 0.278057
C 2.824580 -2.232027 0.186809
C 0.959791 3.285447 -1.340544
C -0.072210 3.587915 -2.425987
C -1.091017 -1.281281 -2.702225
C -3.940139 -2.775139 -0.871154
C -5.507044 0.868886 -0.077486
C 5.678694 -2.657786 0.010624
H 2.358649 2.549529 0.574615
H 0.256581 3.130618 2.003529
H 1.656303 2.382689 2.811630
H -0.604678 1.424706 3.524974
H 0.620068 0.241400 3.010435
H -0.334606 1.880165 -0.492242
H 4.021122 0.969632 0.483049
H -2.787917 1.359342 2.528023
H 0.727022 -2.768576 0.192255
H 3.155086 -3.266302 0.054113
H -0.318913 4.663289 -2.398432
H 0.375829 3.381617 -3.413506
H -1.003975 3.003899 -2.324763
H -0.422982 -0.403970 -2.797252
H -2.133261 -1.005453 -2.944548
H -0.743293 -2.086442 -3.367231
H -2.976049 -3.297308 -1.001558
H -4.662670 -3.105523 -1.633247
H -4.345189 -2.957918 0.141384
H -5.156591 1.863196 -0.416422
H -6.529869 0.950671 0.320386
H -5.464360 0.147037 -0.909032
H 6.770759 -2.532501 -0.025550
H 5.321441 -3.096352 -0.941551
H 5.407211 -3.325953 0.851249


