%chk=000238698.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238698

0 1
N 4.947378 0.062646 -0.433159
N -4.947398 0.062693 0.433178
C 0.737253 0.010248 -0.049411
C -0.737276 0.010263 0.049395
C 1.370690 -0.569784 -1.162308
C -1.512847 0.592442 -0.965208
C 1.512814 0.592968 0.964896
C -1.370701 -0.569199 1.162601
C 3.533154 0.007386 -0.237373
C -3.533180 0.007452 0.237366
C 2.759867 -0.571510 -1.263077
C -2.905241 0.591132 -0.878756
C 2.905205 0.591634 0.878451
C -2.759872 -0.570890 1.263375
C 7.240122 -0.233224 0.235553
C -7.240144 -0.233013 -0.235582
C 5.781942 -0.330561 0.476365
C -5.781972 -0.330331 -0.476421
C 8.118263 -0.825675 1.161042
C -8.118303 -0.825231 -1.161201
C 7.760032 0.434589 -0.885039
C -7.760032 0.434558 0.885162
C 9.497996 -0.748383 0.963471
C -9.498031 -0.747949 -0.963608
C 9.142473 0.509373 -1.076014
C -9.142469 0.509332 1.076161
C 10.012001 -0.080582 -0.154140
C -10.012015 -0.080391 0.154157
H 0.769498 -1.023704 -1.950109
H -1.023651 1.054270 -1.823012
H 1.023603 1.055230 1.822459
H -0.769495 -1.022697 1.950633
H 3.254140 -1.011940 -2.128939
H -3.499954 1.057667 -1.661106
H 3.499923 1.058574 1.660557
H -3.254146 -1.010874 2.129465
H 5.503718 -0.760935 1.454736
H -5.503763 -0.760543 -1.454867
H 7.726875 -1.348133 2.032560
H -7.726930 -1.347500 -2.032839
H 7.077124 0.892246 -1.605829
H -7.077109 0.892035 1.606052
H 10.175656 -1.208778 1.680528
H -10.175707 -1.208163 -1.680767
H 9.540925 1.028658 -1.946444
H -9.540903 1.028430 1.946711
H 11.088760 -0.021360 -0.304761
H -11.088772 -0.021176 0.304795


%chk=000238698-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238698

0 1
N 5.003115 0.009511 -0.554607
N -5.003132 0.009696 0.554579
C 0.740088 0.006889 -0.069402
C -0.740106 0.006914 0.069369
C 1.366144 -0.298616 -1.312894
C -1.585745 0.328839 -1.030561
C 1.585732 0.328935 1.030488
C -1.366168 -0.298421 1.312901
C 3.602340 0.000484 -0.338304
C -3.602357 0.000608 0.338275
C 2.764000 -0.287237 -1.450656
C -2.986262 0.324949 -0.906803
C 2.986250 0.324997 0.906733
C -2.764023 -0.286992 1.450663
C 7.306207 -0.242979 0.206641
C -7.306231 -0.242833 -0.206633
C 5.847975 -0.332034 0.388837
C -5.848002 -0.331945 -0.388821
C 8.168610 -0.646397 1.263163
C -8.168645 -0.646366 -1.263103
C 7.873826 0.241129 -1.006399
C -7.873838 0.241444 1.006345
C 9.569654 -0.567990 1.114292
C -9.569687 -0.567908 -1.114240
C 9.271745 0.317212 -1.152986
C -9.271754 0.317578 1.152925
C 10.124902 -0.086166 -0.094136
C -10.124922 -0.085916 0.094127
H 0.748905 -0.570114 -2.176333
H -1.137641 0.627746 -1.984765
H 1.137633 0.627973 1.984653
H -0.748934 -0.569822 2.176373
H 3.238994 -0.517820 -2.409481
H -3.606751 0.621333 -1.760708
H 3.606744 0.621477 1.760601
H -3.239022 -0.517443 2.409518
H 5.508233 -0.730127 1.369551
H -5.508270 -0.730168 -1.369486
H 7.735841 -1.021447 2.199547
H -7.735887 -1.021546 -2.199440
H 7.194565 0.546878 -1.808615
H -7.194567 0.547279 1.808521
H 10.226419 -0.880565 1.933493
H -10.226461 -0.880571 -1.933399
H 9.703880 0.689806 -2.088453
H -9.703878 0.690302 2.088344
H 11.212637 -0.024771 -0.211973
H -11.212656 -0.024481 0.211958


