%chk=000259322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259322

0 1
O -1.441819 0.931411 0.976763
O 2.361585 2.452143 0.675046
O 2.916166 -1.882729 -0.841938
O -0.199669 -0.890113 0.334639
O 4.635790 -1.858623 0.609434
N 3.961051 1.123036 -0.238339
N 0.209631 1.259714 -0.529315
C 1.567041 0.921767 -1.002220
C 2.630353 1.551686 -0.102455
C 4.358533 -0.038253 -1.045528
C 4.971540 1.601422 0.738383
C -3.552738 -0.231064 0.682778
C -2.421706 0.062145 1.627065
C -4.010712 0.761407 -0.195552
C -4.164975 -1.492094 0.695552
C -0.428879 0.299547 0.279051
C 4.051122 -1.335252 -0.301657
C -5.079346 0.493587 -1.054471
C -5.238154 -1.752446 -0.161610
C -5.696369 -0.761794 -1.036065
H 1.672403 -0.198680 -1.067443
H 1.675026 1.310436 -2.044112
H 5.456032 -0.001321 -1.259705
H 3.849508 -0.028013 -2.039639
H 5.830998 2.042638 0.208918
H 5.323144 0.782951 1.390635
H 4.530777 2.387995 1.385441
H -1.911168 -0.848482 1.995741
H -2.739406 0.699647 2.476592
H 0.083311 2.247336 -0.264786
H -3.519324 1.734961 -0.208711
H -3.804915 -2.271907 1.364572
H -5.431535 1.263639 -1.738747
H -5.714481 -2.731402 -0.150634
H -6.530554 -0.968391 -1.703887
H 2.584337 -2.692706 -0.360594


%chk=000259322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259322

0 1
O -1.753729 0.715875 1.489668
O 2.317359 2.447908 0.271775
O 5.361170 -2.433852 -0.266988
O -0.800443 -1.319803 0.741975
O 5.031737 -0.806314 1.368209
N 3.834708 0.917554 -0.614688
N 0.364413 0.706392 0.665035
C 1.575647 0.125541 0.108317
C 2.604415 1.258541 -0.068122
C 4.209084 -0.450127 -0.957903
C 4.895854 1.941541 -0.693911
C -3.971459 -0.016366 0.599128
C -3.031432 -0.013331 1.786434
C -4.956198 0.993928 0.456822
C -3.881775 -1.037169 -0.383258
C -0.726525 -0.073365 0.940259
C 4.896318 -1.198718 0.194240
C -5.836068 0.989617 -0.648875
C -4.760145 -1.042104 -1.489087
C -5.739840 -0.030079 -1.624392
H 1.982373 -0.658743 0.778487
H 1.358399 -0.365982 -0.862562
H 4.903020 -0.445495 -1.818441
H 3.337223 -1.047224 -1.276131
H 5.299151 1.997538 -1.721535
H 5.714095 1.707379 0.012237
H 4.454768 2.911212 -0.420023
H -2.770191 -1.039590 2.097782
H -3.446207 0.553967 2.634599
H 0.376432 1.715167 0.852017
H -5.030465 1.785938 1.212433
H -3.112158 -1.809942 -0.276709
H -6.594241 1.774589 -0.748420
H -4.684175 -1.834401 -2.242417
H -6.423299 -0.036259 -2.481236
H 5.784781 -2.939625 0.478481


