%chk=000104949.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104949

0 1
N -7.103610 -0.091698 -0.077669
N 7.103502 -0.091293 0.077567
C -1.405959 -0.014514 -0.005616
C 1.405959 -0.014469 0.005628
C -2.882538 -0.014957 -0.011287
C 2.882527 -0.014861 0.011300
C -0.697669 1.198281 -0.003583
C 0.697624 1.198303 0.003561
C -0.697562 -1.227376 -0.002101
C 0.697596 -1.227353 0.002142
C -3.588735 0.666342 -1.016573
C 3.588720 0.666454 1.016582
C -3.595660 -0.698211 0.987884
C 3.595691 -0.698081 -0.987870
C -4.981059 0.673300 -1.029020
C 4.981030 0.673467 1.029056
C -4.987972 -0.699762 0.994447
C 4.987989 -0.699600 -0.994454
C -5.690364 -0.016330 -0.021825
C 5.690390 -0.016147 0.021843
H -1.241056 2.141760 -0.001362
H 1.240986 2.141797 0.001310
H -1.241237 -2.171014 -0.009454
H 1.241305 -2.170971 0.009516
H -3.039567 1.191246 -1.799092
H 3.039524 1.191353 1.799097
H -3.051830 -1.227260 1.771405
H 3.051867 -1.227142 -1.771399
H -5.514941 1.193190 -1.819195
H 5.514896 1.193377 1.819217
H -5.527228 -1.236381 1.769672
H 5.527265 -1.236164 -1.769692
H -7.570829 0.637391 -0.596431
H -7.575436 -0.302538 0.789480
H 7.575558 -0.302870 -0.789144
H 7.570921 0.637132 0.596860


%chk=000104949-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104949

0 1
N -7.217218 -0.000559 0.001620
N 7.217224 -0.000448 -0.001567
C -1.449062 0.000617 0.000409
C 1.449067 0.000639 -0.000367
C -2.936203 0.000485 0.000890
C 2.936209 0.000530 -0.000846
C -0.703601 1.213660 0.002512
C 0.703588 1.213670 -0.002477
C -0.703587 -1.212408 -0.002057
C 0.703611 -1.212397 0.002104
C -3.681882 1.058704 -0.591434
C 3.681870 1.058763 0.591473
C -3.681173 -1.058125 0.593395
C 3.681196 -1.058072 -0.593344
C -5.087817 1.066167 -0.596330
C 5.087804 1.066249 0.596371
C -5.087100 -1.066135 0.598964
C 5.087123 -1.066061 -0.598910
C -5.820284 -0.000071 0.001588
C 5.820290 0.000018 -0.001539
H -1.233567 2.172863 0.028106
H 1.233539 2.172881 -0.028076
H -1.233587 -2.171609 -0.027283
H 1.233625 -2.171590 0.027334
H -3.151304 1.879224 -1.088038
H 3.151279 1.879279 1.088070
H -3.150011 -1.878489 1.089644
H 3.150048 -1.878448 -1.089589
H -5.627263 1.893365 -1.074571
H 5.627237 1.893457 1.074609
H -5.625997 -1.893563 1.077430
H 5.626033 -1.893483 -1.077370
H -7.738229 0.763031 -0.418782
H -7.737638 -0.765513 0.420283
H 7.737656 -0.765389 -0.420238
H 7.738221 0.763161 0.418816


