%chk=C:\Users\Francesc\Dropbox\cdf francesc\FLPs\Calculations\intramol\ph_dibenzofuran\h2\ph_dibenzofuran_h2-geom.chk # hf/3-21g geom=connectivity Title Card Required 0 1 C -1.01766500 -0.66630600 -1.35819000 C -2.15133200 -1.46361400 -1.54655800 O -1.35321100 0.54108700 -0.80969600 C -3.20663800 -0.78847800 -0.75957800 C -2.54692300 0.32800800 -0.24137700 C -4.40393500 -1.14650400 -0.13845200 C -2.77734100 0.86063500 1.00541300 C -4.78564200 -0.45838100 1.01478200 H -4.98676800 -1.99370700 -0.47988200 C -3.95660400 0.48817200 1.63662900 H -5.70718500 -0.73597300 1.51093900 H -4.21293100 0.85571800 2.62276600 C -1.92603700 -2.75359300 -2.02249500 H -2.74233400 -3.44242600 -2.20743300 C -0.60074100 -3.17479000 -2.15547000 H -0.40587700 -4.18083000 -2.51062100 C 0.47409500 -2.39395400 -1.70696500 C 0.28976900 -1.08530100 -1.24198700 H 1.45881300 -2.84701300 -1.64863700 B 1.20963600 -0.18976700 -0.23294700 N -1.57286200 1.47199700 1.58364700 C -1.30845200 2.84315500 1.06986300 H -2.09089500 3.52278100 1.41178300 H -0.33668400 3.15840400 1.44509200 H -1.26921400 2.80693000 -0.01332500 C -1.55970100 1.44107200 3.06121900 H -0.57370400 1.76595000 3.38823400 H -2.31889000 2.10964300 3.47098600 H -1.73502700 0.42285200 3.39623300 H -0.75487600 0.88027600 1.23211400 H 0.32483800 0.12248300 0.77858300 C 2.32627100 -1.05210200 0.53720800 C 3.69229300 -0.78423100 0.43268500 C 1.94978800 -2.14770000 1.33227500 C 4.64449100 -1.56879400 1.07990600 H 4.02351300 0.05429000 -0.17230100 C 2.88886700 -2.93155100 1.99049700 H 0.89457100 -2.38564700 1.43363600 C 4.24575000 -2.64395900 1.86449800 H 5.69936700 -1.33762600 0.97190800 H 2.56632000 -3.76951800 2.60020900 H 4.98404600 -3.25432100 2.37376600 C 1.62980700 1.28125200 -0.72455900 C 1.42488300 1.73203100 -2.02876100 C 2.18659300 2.19276400 0.18504300 C 1.75419600 3.02910700 -2.41639600 H 0.99601100 1.05695000 -2.76188900 C 2.51534300 3.49019900 -0.18549600 H 2.36352100 1.87030000 1.20949500 C 2.29684000 3.91541700 -1.49413200 H 1.58382300 3.34796400 -3.43970700 H 2.94472800 4.17202700 0.54185900 H 2.55182200 4.92733200 -1.79073500 1 2 1.5 3 1.0 18 2.0 2 4 1.0 13 1.5 3 5 1.5 4 5 1.5 6 1.5 5 7 2.0 6 8 1.5 9 1.0 7 10 1.5 21 1.0 8 10 1.5 11 1.0 9 10 12 1.0 11 12 13 14 1.0 15 1.5 14 15 16 1.0 17 1.5 16 17 18 1.5 19 1.0 18 20 1.0 19 20 32 1.0 43 1.0 21 22 1.0 26 1.0 22 23 1.0 24 1.0 25 1.0 23 24 25 26 27 1.0 28 1.0 29 1.0 27 28 29 30 31 32 33 1.5 34 1.5 33 35 1.5 36 1.0 34 37 1.5 38 1.0 35 39 1.5 40 1.0 36 37 39 1.5 41 1.0 38 39 42 1.0 40 41 42 43 44 1.5 45 1.5 44 46 1.5 47 1.0 45 48 1.5 49 1.0 46 50 1.5 51 1.0 47 48 50 1.5 52 1.0 49 50 53 1.0 51 52 53