%chk=000200007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200007

0 1
N 1.439999 0.511743 0.201402
N -1.440028 0.510646 -0.203793
C 0.718364 -0.713394 -0.277030
C 0.719078 1.735728 -0.283074
C -0.718417 -0.711817 0.281478
C -0.719069 1.737312 0.273808
C 2.865953 0.518850 -0.263409
C -2.865992 0.520390 0.260960
C 3.689609 -0.423041 0.636717
C -3.689675 -0.426474 -0.633913
C 5.151085 -0.325818 0.299441
C -5.151151 -0.327321 -0.297202
C 5.705330 -1.152029 -0.690671
C -5.705438 -1.147979 0.697494
C 5.970520 0.597919 0.966824
C -5.970545 0.592711 -0.969735
C 7.063530 -1.056316 -1.004827
C -7.063638 -1.050468 1.011095
C 7.327994 0.689491 0.649023
C -7.328020 0.686101 -0.652466
C 7.877881 -0.136636 -0.336468
C -7.877948 -0.134499 0.337609
H 1.258387 -1.606894 0.102208
H 0.687518 -0.789440 -1.386170
H 0.688548 1.807925 -1.392331
H 1.256760 2.630589 0.096351
H -1.258456 -1.607415 -0.092759
H -0.687569 -0.781666 1.391026
H -0.688532 1.815732 1.382643
H -1.256720 2.630049 -0.110630
H 2.984753 0.229202 -1.329142
H 3.270062 1.551287 -0.169963
H -2.984815 0.236686 1.328289
H -3.270074 1.552301 0.161763
H 3.329862 -1.466280 0.534276
H 3.506723 -0.164218 1.701721
H -3.329966 -1.469139 -0.525656
H -3.506767 -0.173597 -1.700342
H 5.077535 -1.869053 -1.214866
H -5.077674 -1.862091 1.225687
H 5.547863 1.243706 1.734015
H -5.547857 1.234196 -1.740509
H 7.488571 -1.700652 -1.772509
H -7.488711 -1.690499 1.782351
H 7.959341 1.406412 1.171214
H -7.959335 1.400122 -1.178652
H 8.934834 -0.064451 -0.581653
H -8.934902 -0.060912 0.582374


%chk=000200007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200007

0 1
N 1.442724 0.485685 0.204681
N -1.442944 0.484978 -0.209748
C 0.726254 -0.730865 -0.252369
C 0.724065 1.698344 -0.262715
C -0.726457 -0.729825 0.252026
C -0.723964 1.699540 0.252213
C 2.873398 0.504849 -0.181827
C -2.873287 0.506148 0.177869
C 3.728900 -0.523074 0.607368
C -3.729540 -0.526191 -0.604698
C 5.209426 -0.372928 0.291957
C -5.209733 -0.374272 -0.288562
C 5.792262 -1.050373 -0.810572
C -5.791212 -1.044800 0.818905
C 6.032482 0.486578 1.065488
C -6.033832 0.480207 -1.066547
C 7.157386 -0.876154 -1.132309
C -7.155979 -0.868715 1.141135
C 7.398285 0.664344 0.749224
C -7.399292 0.659786 -0.749820
C 7.965967 -0.016327 -0.353090
C -7.965605 -0.013962 0.357443
H 1.238853 -1.625705 0.142851
H 0.719933 -0.799087 -1.370909
H 0.705537 1.759887 -1.380752
H 1.250948 2.591250 0.122405
H -1.239095 -1.626173 -0.139701
H -0.720152 -0.793686 1.370827
H -0.705338 1.765984 1.369968
H -1.250753 2.590839 -0.136752
H 3.013436 0.330530 -1.280446
H 3.265732 1.517255 0.032788
H -3.012228 0.337978 1.277596
H -3.265890 1.517319 -0.042033
H 3.398243 -1.549544 0.361074
H 3.535932 -0.361896 1.683715
H -3.398674 -1.551277 -0.353005
H -3.537659 -0.371023 -1.682126
H 5.172120 -1.724805 -1.415022
H -5.170309 -1.715304 1.426928
H 5.599040 1.013318 1.925315
H -5.601510 1.001589 -1.930192
H 7.590775 -1.411508 -1.985035
H -7.588273 -1.398685 1.997772
H 8.019325 1.327757 1.362230
H -8.021131 1.319221 -1.366304
H 9.025516 0.118001 -0.598782
H -9.024879 0.121792 0.603535


