%chk=000259663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259663

0 1
O 1.553331 2.261960 0.853897
O 0.182752 2.106204 -2.420226
O 3.110515 3.487739 -1.927144
O -2.603620 1.611654 0.878718
O -2.733385 -0.209912 2.215387
O -0.941908 -0.812047 -0.815382
N 3.464587 0.949358 0.401942
N 5.090865 -0.460272 1.237302
N 1.754744 -0.777423 -0.200001
N 2.504215 -3.071130 0.351704
N 4.652634 -3.546876 1.202341
N 0.358293 -2.714996 -0.512378
C 0.385899 2.158743 -0.042550
C 0.897143 2.758550 -1.376889
C 2.400063 2.370174 -1.395123
C 2.769155 2.221527 0.112994
C -0.698760 2.974530 0.645521
C -1.489530 2.157396 1.661141
C 2.960062 -0.352136 0.291465
C 4.765989 0.812647 1.013516
C 3.990890 -1.218886 0.802181
C 3.723761 -2.621191 0.798546
C 1.580134 -2.132936 -0.108052
C -3.085401 0.370609 1.213500
C -4.067993 -0.064636 0.186422
C -0.849413 -2.013645 -0.831142
C -5.250856 -0.699452 0.591007
C -3.793390 0.141057 -1.172806
C -6.166499 -1.123640 -0.374805
C -4.713639 -0.290953 -2.132297
C -1.970808 -2.952489 -1.175811
C -5.898692 -0.917476 -1.733489
H 0.129866 1.070478 -0.161989
H 0.772558 3.858948 -1.460049
H 2.578981 1.452929 -1.993597
H 3.388116 3.070801 0.494598
H -1.405332 3.369912 -0.120750
H -0.246857 3.856259 1.147123
H -0.913112 1.331113 2.118799
H -1.952863 2.776722 2.446443
H 0.386345 2.530934 -3.281663
H 3.959388 3.199525 -2.323431
H 5.373157 1.677967 1.236432
H 4.408961 -4.522783 1.265453
H 5.513369 -3.238361 1.630373
H 0.345652 -3.744518 -0.481872
H -5.447287 -0.860602 1.652390
H -2.852013 0.623274 -1.465808
H -7.089917 -1.612692 -0.069521
H -4.508156 -0.130655 -3.189468
H -1.736643 -3.608641 -2.023640
H -2.870900 -2.373022 -1.453224
H -2.261939 -3.584223 -0.323854
H -6.618210 -1.245920 -2.482937


%chk=000259663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259663

0 1
O 1.430290 2.216424 0.905601
O 0.379623 3.073664 -2.511522
O 3.476225 2.985367 -2.011940
O -2.390207 1.625853 0.842482
O -3.752611 1.428172 2.723824
O -0.734692 -0.864743 -1.917240
N 3.356135 0.793416 0.559228
N 4.774680 -0.677451 1.616555
N 1.816476 -0.830593 -0.515609
N 2.444630 -3.158441 -0.008176
N 4.318356 -3.727407 1.312679
N 0.583451 -2.730039 -1.308580
C 0.355127 2.455534 -0.133310
C 1.148218 3.104138 -1.279780
C 2.427263 2.251861 -1.304406
C 2.721938 2.069182 0.212521
C -0.716931 3.339317 0.496258
C -1.552623 2.628340 1.561277
C 2.892249 -0.491299 0.247800
C 4.477324 0.613484 1.395482
C 3.783799 -1.378788 0.902906
C 3.522797 -2.773040 0.739428
C 1.658022 -2.178461 -0.580840
C -3.477034 1.100161 1.541126
C -4.263456 0.142219 0.708339
C -0.523044 -2.105821 -1.912153
C -5.465038 -0.378967 1.256030
C -3.849905 -0.241053 -0.594511
C -6.257434 -1.269073 0.502828
C -4.650819 -1.130982 -1.343441
C -1.497403 -3.097675 -2.552571
C -5.853680 -1.643272 -0.801810
H -0.049764 1.479490 -0.462905
H 1.433530 4.146415 -1.009825
H 2.200964 1.278416 -1.779303
H 3.405832 2.868463 0.558248
H -1.382857 3.703547 -0.308400
H -0.226515 4.218057 0.959237
H -0.921150 2.095927 2.294466
H -2.219429 3.322778 2.102310
H 0.945219 3.439674 -3.238228
H 4.179966 2.358795 -2.313313
H 5.024221 1.460863 1.804390
H 4.090420 -4.711229 1.189204
H 5.111721 -3.441759 1.882906
H 0.619160 -3.752495 -1.319976
H -5.756938 -0.069746 2.265285
H -2.912131 0.141784 -1.007969
H -7.186760 -1.666099 0.925774
H -4.339243 -1.413113 -2.355445
H -1.088688 -4.116514 -2.666576
H -1.790525 -2.716288 -3.544621
H -2.410725 -3.149252 -1.932679
H -6.473731 -2.328243 -1.391759


