%chk=000279813.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279813

0 1
O 0.610603 3.020548 1.083211
N 0.018716 1.139753 0.155982
N -0.147169 2.439493 0.351021
C -0.979548 0.358087 -0.672159
C 1.081930 0.232929 0.746409
C -0.573093 -1.081260 -0.419653
C 0.572763 -1.149657 0.403852
C -1.190995 -2.238227 -0.892624
C 1.104614 -2.375889 0.801346
C -2.400130 0.666527 -0.245361
C 2.435464 0.563429 0.149566
C -0.644872 -3.478127 -0.497956
C 0.469296 -3.545457 0.333594
C -2.385810 -2.177446 -1.782338
C 2.300516 -2.452631 1.688248
C -2.893223 0.208232 0.984937
C 2.935204 -0.126459 -0.963143
C -3.225523 1.421392 -1.090582
C 3.196247 1.592485 0.726734
C -4.207727 0.495431 1.360985
C 4.194744 0.194405 -1.478632
C -4.540357 1.705366 -0.709890
C 4.453347 1.910108 0.208406
C -5.033433 1.242022 0.513837
C 4.957163 1.208786 -0.892494
H -0.821488 0.622374 -1.752538
H 1.105675 0.385316 1.858556
H -1.108063 -4.399590 -0.849196
H 0.861464 -4.518585 0.627497
H -3.221826 -1.653828 -1.289453
H -2.168243 -1.630898 -2.711065
H -2.754266 -3.170187 -2.070354
H 2.073835 -2.073902 2.695706
H 2.680037 -3.475593 1.805125
H 3.131243 -1.843895 1.294987
H -2.248004 -0.370309 1.646250
H 2.344701 -0.914367 -1.430713
H -2.843658 1.799979 -2.037555
H 2.790645 2.164371 1.565182
H -4.587825 0.140421 2.317616
H 4.579409 -0.346305 -2.341473
H -5.178689 2.294917 -1.366101
H 5.038077 2.710683 0.658898
H -6.056601 1.466903 0.809549
H 5.937151 1.457358 -1.294917


%chk=000279813-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279813

0 1
O 0.671984 2.969108 1.132646
N -0.017582 1.107879 0.124682
N -0.199435 2.440851 0.334862
C -1.026981 0.337877 -0.678724
C 1.074971 0.277956 0.742843
C -0.573995 -1.094525 -0.401524
C 0.565240 -1.123854 0.436106
C -1.170754 -2.284563 -0.887760
C 1.141150 -2.342616 0.871297
C -2.466211 0.660631 -0.267909
C 2.457105 0.593613 0.148026
C -0.587180 -3.503862 -0.461992
C 0.531132 -3.532981 0.404689
C -2.374026 -2.269452 -1.811661
C 2.352908 -2.373858 1.782255
C -2.974597 0.239548 0.986035
C 2.817677 0.116327 -1.137452
C -3.302024 1.395252 -1.140336
C 3.386743 1.369756 0.881357
C -4.298633 0.552304 1.360020
C 4.089019 0.407785 -1.678800
C -4.629737 1.706803 -0.770747
C 4.661669 1.654146 0.345687
C -5.131451 1.286327 0.481915
C 5.016840 1.175669 -0.937198
H -0.908474 0.597723 -1.751204
H 1.104914 0.509902 1.826881
H -1.018490 -4.449000 -0.813062
H 0.942492 -4.499923 0.718083
H -3.278434 -1.905700 -1.289716
H -2.217695 -1.598785 -2.677555
H -2.586890 -3.280055 -2.199597
H 2.181856 -1.789704 2.706520
H 2.603305 -3.407129 2.076264
H 3.238326 -1.933112 1.287497
H -2.333756 -0.334503 1.665963
H 2.107765 -0.494443 -1.708093
H -2.908227 1.736373 -2.105943
H 3.096430 1.770794 1.858520
H -4.682764 0.226166 2.333082
H 4.357680 0.034188 -2.673409
H -5.266820 2.280819 -1.452580
H 5.372125 2.257919 0.921189
H -6.159220 1.529864 0.773468
H 6.004345 1.401187 -1.355327


