%chk=000254978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254978

0 1
O -3.825181 -0.829174 0.814430
O -3.772261 1.268268 0.003151
N 1.721648 1.495158 -0.209356
C 2.467212 -0.634989 0.166319
C 2.856671 0.676490 -0.114059
C 3.439490 -1.743138 0.346733
C 4.255592 1.142535 -0.307109
C 4.826372 -1.343590 -0.194805
C 5.228698 0.076310 0.236554
C 1.037394 -0.652197 0.254336
C 0.582480 0.690689 0.015567
C -0.788987 1.046638 0.024198
C 0.084177 -1.661290 0.510745
C -1.697076 0.016981 0.285927
C -1.249320 -1.320618 0.524410
C -1.162306 2.464086 -0.234402
C -3.151117 0.273585 0.322027
C -5.283546 -0.760737 0.879248
C -5.870293 -1.016768 -0.494048
H 3.509440 -2.001073 1.424596
H 3.083371 -2.659982 -0.164635
H 4.447195 1.313690 -1.388230
H 4.436954 2.112153 0.196950
H 5.584870 -2.068978 0.152111
H 4.819844 -1.406867 -1.300398
H 6.254304 0.300142 -0.109632
H 5.252464 0.132134 1.342865
H 1.705474 2.475965 -0.401673
H 0.414498 -2.680311 0.692353
H -2.008716 -2.083092 0.723657
H -0.797360 3.127526 0.561310
H -0.764928 2.820976 -1.193665
H -2.259830 2.617261 -0.286120
H -5.496285 -1.568242 1.602903
H -5.574643 0.223474 1.288139
H -6.959466 -1.126596 -0.452364
H -5.645791 -0.185012 -1.179089
H -5.455245 -1.926805 -0.945442


%chk=000254978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254978

0 1
O -3.899275 -0.912152 0.762149
O -3.779577 1.333587 0.181789
N 1.708578 1.451446 -0.209468
C 2.504495 -0.652512 0.189558
C 2.865579 0.663064 -0.120631
C 3.522318 -1.756999 0.355793
C 4.266162 1.166568 -0.337378
C 4.892141 -1.322671 -0.233819
C 5.276202 0.114870 0.200870
C 1.064194 -0.681883 0.302908
C 0.583219 0.650836 0.045778
C -0.777544 1.035106 0.060760
C 0.108181 -1.692529 0.592482
C -1.711232 -0.008791 0.358614
C -1.248028 -1.347926 0.616750
C -1.117004 2.488918 -0.227433
C -3.178312 0.246821 0.408248
C -5.382136 -0.774888 0.809911
C -5.995825 -1.011765 -0.574072
H 3.644504 -2.008466 1.430286
H 3.177316 -2.685489 -0.140273
H 4.451136 1.340081 -1.418527
H 4.426065 2.140166 0.168570
H 5.678603 -2.033267 0.083705
H 4.844587 -1.363994 -1.340626
H 6.292504 0.363271 -0.158332
H 5.298837 0.164340 1.307453
H 1.687171 2.447259 -0.418159
H 0.421447 -2.722333 0.794930
H -2.001445 -2.106598 0.837954
H -0.696791 3.149433 0.557687
H -0.681075 2.805294 -1.196186
H -2.201792 2.650329 -0.264086
H -5.691285 -1.545426 1.535115
H -5.633893 0.230843 1.189552
H -7.099655 -0.993103 -0.503489
H -5.681513 -0.223438 -1.278299
H -5.691062 -1.993401 -0.976583


