%chk=000280445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280445

0 1
S 0.837882 0.748450 1.004470
N -5.195973 -0.982396 -0.358779
N -3.953121 -0.562458 0.194855
N -2.355249 0.157948 1.678435
N -2.555446 -0.736968 -1.838551
N -0.232746 -0.093889 -1.394231
C -7.037435 -0.110825 1.015511
C -6.789500 -1.604711 1.420073
C -6.256415 0.077271 -0.324332
C -5.799759 -2.163579 0.341707
C -2.767883 -0.469399 -0.537282
C -3.638420 -0.171954 1.515325
C -1.790968 -0.018348 0.402973
C -0.477439 0.164329 -0.093679
C 2.358899 0.669431 -0.216355
C 2.851784 2.085858 -0.495447
C 3.381198 -0.321314 0.309474
C -1.261563 -0.526126 -2.187898
C 2.043854 2.934661 -1.300612
C 3.912506 -1.291225 -0.578181
C 4.090463 2.579787 -0.016066
C 3.848935 -0.296578 1.649420
C 2.458621 4.245119 -1.610654
C 4.893087 -2.210810 -0.141503
C 4.506594 3.895741 -0.325625
C 4.823801 -1.217128 2.089968
C 3.694065 4.734023 -1.120265
C 5.353067 -2.176191 1.194411
H -8.110695 0.109716 0.886292
H -6.654748 0.576048 1.791634
H -6.355782 -1.673353 2.433469
H -7.727439 -2.185774 1.428699
H -6.919547 -0.108186 -1.188538
H -5.800557 1.071557 -0.449156
H -5.003626 -2.805422 0.749944
H -6.347914 -2.742577 -0.422772
H -4.384058 -0.157851 2.306555
H 1.871171 0.272985 -1.127502
H -1.005216 -0.722637 -3.231977
H 1.086146 2.556345 -1.678353
H 3.555286 -1.325270 -1.614258
H 4.739990 1.933457 0.582577
H 3.429362 0.429770 2.355935
H 1.823863 4.885379 -2.233761
H 5.291117 -2.955056 -0.840472
H 5.468208 4.262509 0.051388
H 5.167433 -1.189940 3.130166
H 4.018699 5.752965 -1.359620
H 6.108770 -2.892185 1.536491


%chk=000280445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280445

0 1
S 0.710049 1.298332 0.744363
N -5.111073 -1.253742 -0.265769
N -3.927250 -0.611425 0.196318
N -2.451250 0.595128 1.486070
N -2.423820 -1.155748 -1.718747
N -0.178444 -0.217723 -1.401173
C -7.085899 -0.397957 0.935681
C -6.616444 -1.724411 1.624887
C -6.283025 -0.328138 -0.405825
C -5.587627 -2.357214 0.631415
C -2.718538 -0.593593 -0.515692
C -3.701252 0.116976 1.386997
C -1.818326 0.160435 0.305459
C -0.501758 0.333163 -0.197991
C 2.289491 1.023701 -0.362944
C 2.999469 2.366085 -0.519403
C 3.111123 -0.134534 0.174004
C -1.134036 -0.922124 -2.090535
C 2.329178 3.419004 -1.200358
C 3.479750 -1.181823 -0.707748
C 4.320713 2.590352 -0.059198
C 3.542079 -0.197504 1.525187
C 2.958503 4.662349 -1.409864
C 4.271930 -2.262240 -0.255745
C 4.953553 3.838439 -0.268378
C 4.329390 -1.276610 1.979974
C 4.277111 4.879127 -0.940981
C 4.701234 -2.312345 1.089589
H -8.172620 -0.397304 0.744728
H -6.868183 0.477242 1.573341
H -6.144804 -1.516171 2.601816
H -7.459479 -2.411260 1.811596
H -6.894430 -0.711628 -1.242295
H -5.934993 0.681974 -0.672227
H -4.728242 -2.844059 1.117731
H -6.083635 -3.102633 -0.015923
H -4.480755 0.263056 2.131444
H 1.827356 0.727468 -1.323341
H -0.819642 -1.343137 -3.049661
H 1.303729 3.257671 -1.553887
H 3.138129 -1.152126 -1.748958
H 4.864574 1.787395 0.447844
H 3.236746 0.588285 2.226123
H 2.424826 5.461728 -1.936343
H 4.545544 -3.064469 -0.950326
H 5.976655 3.993197 0.092884
H 4.648723 -1.313877 3.027684
H 4.768422 5.845358 -1.101765
H 5.310552 -3.151469 1.443845


