%chk=000245448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245448

0 1
O -2.043021 2.257368 0.001078
O 2.838028 0.351149 0.000359
O 2.295231 -1.839963 -0.001327
N -1.712323 -0.059277 -0.000751
C -3.144465 -0.494622 -0.001197
C -0.584684 -0.919326 -0.001179
C 0.237325 1.297446 0.000631
C 0.569338 -0.169551 -0.000414
C -1.282908 1.322593 0.000437
C -3.830046 0.024850 -1.267093
C -3.829999 0.022131 1.265838
C -0.704762 -2.389298 -0.002313
C 1.921836 -0.679548 -0.000554
C 4.255267 -0.040433 0.000328
C 4.994607 1.280366 0.001345
H -3.163069 -1.616496 -0.002416
H 0.654481 1.820214 0.885663
H 0.654721 1.821525 -0.883513
H -4.876792 -0.294519 -1.309851
H -3.825990 1.126515 -1.301179
H -3.333926 -0.326944 -2.178008
H -3.334032 -0.331867 2.175977
H -4.876834 -0.297065 1.307792
H -3.825698 1.123710 1.302421
H -1.227388 -2.769670 -0.892909
H -1.228041 -2.771015 0.887318
H 0.303655 -2.864832 -0.002319
H 4.435008 -0.649497 0.902858
H 4.435312 -0.648278 -0.902964
H 6.080110 1.127379 0.001436
H 4.736438 1.884369 -0.879329
H 4.736123 1.883187 0.882735


%chk=000245448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245448

0 1
O -2.103549 2.312193 0.001468
O 2.864145 0.394398 0.000540
O 2.303033 -1.878239 -0.001483
N -1.723216 -0.038486 -0.000480
C -3.149783 -0.473851 -0.001063
C -0.592789 -0.895248 -0.001082
C 0.210381 1.325631 0.001040
C 0.572601 -0.144314 -0.000209
C -1.320338 1.326640 0.000769
C -3.868113 0.001304 -1.286215
C -3.868469 -0.000961 1.284724
C -0.742656 -2.389068 -0.002512
C 1.933231 -0.667454 -0.000441
C 4.298928 -0.011668 0.000336
C 5.121657 1.273837 0.001140
H -3.128762 -1.578514 -0.002044
H 0.593031 1.867541 0.884763
H 0.593338 1.869099 -0.881594
H -4.903293 -0.385001 -1.296789
H -3.903399 1.102204 -1.324198
H -3.350874 -0.368423 -2.189799
H -3.351518 -0.372339 2.187794
H -4.903678 -0.387214 1.294296
H -3.903692 1.099873 1.324661
H -1.296324 -2.737402 -0.895063
H -1.296730 -2.739097 0.889120
H 0.257726 -2.847047 -0.002729
H 4.488053 -0.635147 0.893320
H 4.488107 -0.634064 -0.893391
H 6.199519 1.028369 0.001006
H 4.903478 1.882069 -0.893500
H 4.903460 1.880983 0.896515


