%chk=000288291.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288291

0 1
N -1.304782 -1.411796 1.042917
N 1.302823 1.411391 1.041313
N -2.712393 0.537766 1.505525
N 2.709953 -0.537136 1.509704
N -0.662926 0.242498 2.682496
N 0.659167 -0.239372 2.683745
C -1.982291 -3.202485 -0.470400
C 1.981998 3.198833 -0.475092
C -4.917267 0.841553 0.505540
C 4.915967 -0.843031 0.512888
C -2.271327 -1.893649 0.209081
C 2.270295 1.891469 0.207530
C -3.664323 0.028908 0.673756
C 3.662813 -0.030051 0.677910
C -3.475750 -1.197079 0.007600
C 3.474962 1.194496 0.008908
C -1.771340 -3.008406 -1.980315
C 1.772876 3.001526 -1.984844
C -4.996920 1.451661 -0.902773
C 4.997655 -1.455609 -0.894239
C -1.569149 -0.215275 1.673513
C 1.566506 0.216235 1.674783
C -1.502911 -4.337243 -2.679923
C 1.505191 4.328851 -2.687599
C -6.280050 2.255456 -1.089247
C 6.281040 -2.259756 -1.077438
H -2.815211 -3.911089 -0.282550
H -1.079080 -3.678897 -0.025445
H 2.814648 3.907888 -0.287748
H 1.078224 3.676138 -0.032241
H -5.803627 0.204381 0.703898
H -4.956656 1.653474 1.267218
H 5.802053 -0.205529 0.711421
H 4.954247 -1.653621 1.276042
H -4.242037 -1.593112 -0.649344
H 4.241985 1.589144 -0.648012
H -0.921482 -2.315353 -2.147388
H -2.658134 -2.517804 -2.427852
H 2.660242 2.510040 -2.430272
H 0.923270 2.308055 -2.151465
H -4.115175 2.103305 -1.072032
H -4.937037 0.652071 -1.667195
H 4.116145 -2.107531 -1.063640
H 4.938904 -0.657364 -1.660153
H -0.606402 -4.829405 -2.283785
H -2.338880 -5.036170 -2.562197
H -1.346171 -4.192239 -3.755259
H 0.608168 4.821786 -2.293591
H 2.340965 5.028092 -2.570352
H 1.349759 4.181550 -3.762813
H -6.328125 2.694339 -2.092760
H -6.348968 3.080430 -0.369833
H -7.173222 1.633523 -0.960543
H 6.330510 -2.700497 -2.080069
H 6.348954 -3.083398 -0.356403
H 7.174036 -1.637588 -0.948642
H -0.689410 1.274479 2.822287
H 0.685493 -1.271051 2.825778


%chk=000288291-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288291

0 1
N -1.726014 -1.681385 0.181762
N 1.724448 1.678377 0.179613
N -2.930712 0.469569 0.191615
N 2.929297 -0.472475 0.195420
N -0.598310 0.359359 0.143396
N 0.596912 -0.362492 0.144902
C -2.861385 -3.855241 0.192383
C 2.859657 3.852345 0.186590
C -5.373410 0.627771 0.212808
C 5.372031 -0.630321 0.219213
C -2.923517 -2.343628 0.216091
C 2.921864 2.340794 0.213655
C -4.113547 -0.210530 0.225636
C 4.112037 0.207806 0.229024
C -4.148793 -1.633146 0.240520
C 4.147161 1.630461 0.240824
C -2.607028 -4.407637 -1.239406
C 2.608097 4.401712 -1.246871
C -5.719175 1.137767 -1.215748
C 5.720816 -1.140818 -1.208445
C -1.796724 -0.305503 0.170709
C 1.795273 0.302478 0.171674
C -2.502459 -5.946739 -1.259520
C 2.503406 5.940752 -1.270375
C -6.970770 2.040028 -1.222379
C 6.972958 -2.042335 -1.212262
H -3.805514 -4.277383 0.585556
H -2.038236 -4.189966 0.851314
H 3.802981 4.275422 0.580691
H 2.035196 4.188379 0.843199
H -6.223727 0.041072 0.609246
H -5.224986 1.503511 0.871758
H 6.221455 -0.043296 0.617092
H 5.222394 -1.505782 0.878235
H -5.101882 -2.166744 0.277167
H 5.100178 2.164205 0.277289
H -1.674436 -3.957229 -1.629093
H -3.425308 -4.076101 -1.908805
H 3.427754 4.068850 -1.913922
H 1.676333 3.950399 -1.637491
H -4.846234 1.693075 -1.607758
H -5.875007 0.270106 -1.887019
H 4.848965 -1.696840 -1.601880
H 5.877416 -0.273391 -1.879840
H -1.670890 -6.296334 -0.619253
H -3.433164 -6.416520 -0.888877
H -2.320327 -6.320223 -2.283739
H 1.670484 6.291555 -0.632535
H 3.433295 6.411393 -0.898776
H 2.323341 6.312117 -2.295729
H -7.200969 2.396400 -2.243036
H -6.820860 2.927477 -0.579300
H -7.858105 1.497035 -0.845286
H 7.205207 -2.399200 -2.232282
H 6.822433 -2.929480 -0.568905
H 7.859279 -1.498570 -0.833905
H -0.491516 1.377573 0.155828
H 0.490137 -1.380677 0.159625


