%chk=000291022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291022

0 1
N -2.569675 0.501582 -0.421158
N 2.569569 0.501611 0.421121
C -0.702567 1.924508 0.069797
C 0.702498 1.924513 -0.070051
C -1.393680 3.143004 0.121989
C 1.393596 3.143014 -0.122347
C -1.443508 0.644879 0.198345
C 1.443458 0.644881 -0.198492
C -0.696120 4.353113 0.057257
C 0.696020 4.353119 -0.057720
C -3.347716 -0.693873 -0.313886
C 3.347652 -0.693824 0.313927
C -3.709383 -1.245542 0.929113
C 3.709369 -1.245556 -0.929031
C -3.830432 -1.257317 -1.511121
C 3.830348 -1.257187 1.511206
C -4.552005 -2.359053 0.966082
C 4.552019 -2.359047 -0.965913
C -4.663007 -2.374949 -1.454344
C 4.662954 -2.374802 1.454517
C -5.024945 -2.928018 -0.220092
C 5.024941 -2.927932 0.220308
H -2.482678 3.140231 0.206371
H 2.482594 3.140248 -0.206727
H -0.952981 -0.106986 0.841117
H 0.953011 -0.106988 -0.841320
H -1.241601 5.295247 0.097173
H 1.241487 5.295257 -0.097719
H -3.352382 -0.799093 1.854094
H 3.352381 -0.799170 -1.854047
H -3.556484 -0.813080 -2.467536
H 3.556361 -0.812905 2.467590
H -4.840038 -2.785536 1.926357
H 4.840092 -2.785579 -1.926154
H -5.037074 -2.817025 -2.377329
H 5.037006 -2.816813 2.377539
H -5.677499 -3.797866 -0.184906
H 5.677520 -3.797765 0.185188


%chk=000291022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291022

0 1
N -2.792966 0.593698 -0.447585
N 2.792919 0.593777 0.447467
C -0.712050 1.808483 -0.102505
C 0.711981 1.808502 0.102306
C -1.394117 3.055690 -0.206479
C 1.394029 3.055730 0.206173
C -1.505628 0.566231 -0.191201
C 1.505578 0.566270 0.191105
C -0.702549 4.273820 -0.105926
C 0.702442 4.273840 0.105517
C -3.571597 -0.594114 -0.440233
C 3.571561 -0.594029 0.440219
C -3.355261 -1.668594 0.472567
C 3.355211 -1.668607 -0.472463
C -4.657983 -0.672484 -1.355030
C 4.657971 -0.672294 1.354997
C -4.193419 -2.802733 0.443763
C 4.193377 -2.802738 -0.443560
C -5.478551 -1.817703 -1.390521
C 5.478548 -1.817503 1.390588
C -5.250800 -2.889083 -0.492636
C 5.250781 -2.888981 0.492823
H -2.476663 3.024871 -0.363183
H 2.476575 3.024941 0.362878
H -0.977028 -0.395557 -0.044986
H 0.976985 -0.395538 0.044995
H -1.246197 5.221427 -0.187815
H 1.246074 5.221462 0.187325
H -2.563032 -1.592977 1.226911
H 2.562963 -1.593075 -1.226796
H -4.829590 0.172345 -2.029635
H 4.829588 0.172607 2.029508
H -4.029397 -3.616115 1.159745
H 4.029343 -3.616197 -1.159451
H -6.303603 -1.871864 -2.109456
H 6.303619 -1.871582 2.109507
H -5.899794 -3.771367 -0.510707
H 5.899781 -3.771258 0.510972


