%chk=000116415.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116415

2 1
N -4.540962 -0.096277 -0.157567
N 0.224791 1.512661 0.497743
C -4.172644 -1.452674 -0.784127
C -5.839473 -0.366694 0.635405
C -5.497018 -2.201476 -0.982084
C -6.544833 -1.516276 -0.091415
C -3.455542 0.416206 0.788824
C -4.821849 0.917314 -1.242942
C -2.099504 0.660949 0.113600
C -1.092177 1.208732 1.141930
C 1.257843 0.564868 0.469156
C 0.395146 2.765977 -0.053633
C 2.501259 0.919581 -0.148701
C 1.084316 -0.730686 1.056912
C 3.581741 -0.060816 -0.171945
C 1.597897 3.118576 -0.656398
C 2.650629 2.203117 -0.705053
C 3.375200 -1.333585 0.424697
C 2.109300 -1.635559 1.038324
C 4.833873 0.222211 -0.767457
C 4.422528 -2.292546 0.416565
C 5.844018 -0.727567 -0.765358
C 5.638508 -1.992197 -0.170058
H -3.503193 -2.016072 -0.097217
H -3.624473 -1.315095 -1.739795
H -6.468323 0.548512 0.691868
H -5.595187 -0.653096 1.683143
H -3.338304 -0.321253 1.622912
H -3.823313 1.360517 1.264640
H -5.387723 -3.276166 -0.721500
H -5.815036 -2.200014 -2.045281
H -7.407116 -1.156883 -0.691048
H -6.988184 -2.231513 0.635319
H -3.953144 1.077560 -1.905115
H -5.658774 0.579181 -1.893217
H -5.120096 1.898927 -0.828883
H -1.702596 -0.275499 -0.337405
H -2.202604 1.375875 -0.732290
H -0.936784 0.478134 1.978685
H -1.481408 2.136112 1.632903
H -0.438495 3.483959 0.005282
H 0.143749 -0.987910 1.544181
H 1.716179 4.125472 -1.084938
H 3.604217 2.491065 -1.177988
H 1.983155 -2.624419 1.501233
H 5.016166 1.194536 -1.231726
H 4.262711 -3.270658 0.880125
H 6.813751 -0.503154 -1.225657
H 6.450779 -2.728255 -0.176750


%chk=000116415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116415

2 1
N -4.515867 -0.168163 -0.170662
N 0.246652 1.603355 0.568999
C -4.201366 -1.655973 -0.470860
C -5.875445 -0.263898 0.584000
C -5.564601 -2.289165 -0.825292
C -6.645436 -1.414254 -0.103291
C -3.464028 0.502437 0.727868
C -4.715289 0.607748 -1.470925
C -2.064037 0.662300 0.095433
C -1.098334 1.279006 1.146083
C 1.248509 0.618619 0.461199
C 0.459121 2.896736 0.153794
C 2.534764 0.996180 -0.096470
C 1.018906 -0.723110 0.903290
C 3.594949 -0.007532 -0.196709
C 1.683278 3.287809 -0.397585
C 2.715717 2.340502 -0.519293
C 3.329880 -1.350156 0.266810
C 2.037366 -1.664770 0.807946
C 4.887513 0.279536 -0.725430
C 4.346194 -2.350463 0.191986
C 5.873540 -0.717728 -0.790635
C 5.606871 -2.039322 -0.331047
H -3.782293 -2.080634 0.457779
H -3.452044 -1.718684 -1.274850
H -6.375663 0.716374 0.537488
H -5.635838 -0.497864 1.634874
H -3.410650 -0.112454 1.644642
H -3.879237 1.488906 1.004692
H -5.592451 -3.336042 -0.484469
H -5.728279 -2.303080 -1.914833
H -7.389839 -1.032639 -0.819939
H -7.198441 -1.993991 0.652308
H -3.812643 0.530682 -2.094008
H -5.567591 0.177599 -2.015452
H -4.926675 1.661487 -1.231763
H -1.670750 -0.312005 -0.246441
H -2.104496 1.334522 -0.780293
H -0.962020 0.610311 2.011564
H -1.517408 2.222561 1.535789
H -0.365452 3.599875 0.290741
H 0.062880 -1.025329 1.335078
H 1.821047 4.324096 -0.712104
H 3.670954 2.659404 -0.942011
H 1.857020 -2.686013 1.162377
H 5.142023 1.279101 -1.088401
H 4.130213 -3.362340 0.550796
H 6.860163 -0.476477 -1.197773
H 6.387615 -2.803357 -0.387100


