%chk=000245879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245879

0 1
O 2.139563 -3.943857 -0.995545
N 1.877351 -1.457485 0.376091
N -1.601894 1.772989 -0.353476
C 1.196001 -0.278931 0.977889
C -0.272258 -0.055618 0.627235
C 1.850143 1.017945 0.498941
C 1.687666 -1.537211 -1.109131
C 1.447264 -2.741108 1.021743
C 0.879792 1.920322 -0.023363
C -0.444016 1.275664 0.040085
C 2.520050 -2.711761 -1.644438
C 2.298577 -3.880076 0.435212
C -1.360739 -0.853647 0.787535
C 3.187493 1.371565 0.541655
C 1.246706 3.173885 -0.489503
C -2.644624 -0.354664 0.368002
C -2.727572 0.952904 -0.192266
C 3.558825 2.643797 0.065867
C 2.606668 3.530067 -0.438230
C -3.836434 -1.125400 0.495296
C -3.993797 1.467125 -0.612609
C -5.044234 -0.611206 0.083933
C -5.122517 0.695774 -0.474121
H 1.304277 -0.350660 2.094319
H 2.040245 -0.583493 -1.560114
H 0.621706 -1.661649 -1.399985
H 0.368544 -2.963378 0.867573
H 1.620645 -2.666098 2.115766
H 2.303473 -2.926956 -2.705433
H 3.602291 -2.549369 -1.497356
H 3.369548 -3.754261 0.674061
H 1.945365 -4.874282 0.759508
H -1.294816 -1.852637 1.216908
H 3.934763 0.678238 0.924488
H 0.497433 3.860042 -0.884550
H 4.608371 2.935435 0.094050
H 2.914580 4.510498 -0.798771
H -3.772373 -2.125456 0.922222
H -4.029524 2.471648 -1.037768
H -5.958402 -1.195748 0.178521
H -6.094741 1.073752 -0.790038


%chk=000245879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245879

0 1
O 2.357540 -4.019328 -1.000547
N 1.816621 -1.516378 0.338617
N -1.638077 1.806530 -0.345570
C 1.165813 -0.326150 0.945577
C -0.320506 -0.064807 0.621269
C 1.820358 0.985600 0.489864
C 1.682906 -1.629475 -1.136545
C 1.517489 -2.810696 0.996728
C 0.852868 1.897402 -0.015122
C -0.475991 1.259029 0.047808
C 2.635850 -2.723110 -1.647034
C 2.483355 -3.882643 0.459719
C -1.453223 -0.846257 0.797944
C 3.181115 1.333060 0.521383
C 1.227900 3.176327 -0.478316
C -2.728792 -0.320834 0.381640
C -2.775406 1.014886 -0.190085
C 3.564899 2.616026 0.056283
C 2.595747 3.529893 -0.435435
C -3.946046 -1.060425 0.513904
C -4.034403 1.550301 -0.606496
C -5.163738 -0.512093 0.098358
C -5.206937 0.801324 -0.466395
H 1.287150 -0.440789 2.043366
H 1.949093 -0.661195 -1.598105
H 0.638984 -1.882841 -1.438785
H 0.472278 -3.155832 0.803205
H 1.650332 -2.702388 2.090569
H 2.498696 -2.899470 -2.726601
H 3.686995 -2.424155 -1.444771
H 3.526715 -3.604712 0.723479
H 2.246094 -4.877996 0.871045
H -1.410432 -1.844170 1.248826
H 3.926222 0.619426 0.888575
H 0.469410 3.865869 -0.861527
H 4.620980 2.908227 0.075315
H 2.915296 4.516785 -0.788379
H -3.911834 -2.068639 0.945107
H -4.039307 2.558148 -1.032991
H -6.089954 -1.087485 0.203345
H -6.166662 1.219736 -0.789017


