%chk=C:\Users\francesc.penas\Dropbox\cdf francesc\FLPs\Calculations\intramol\ph_xanthene\h2\ph_xanthene_h2-geom.chk
# hf/3-21g geom=connectivity

Title Card Required

0 1
 C                  0.43633800   -1.31583800   -0.64477900
 C                  0.66997900   -2.66984300   -0.91041200
 C                 -0.37354200   -3.53955700   -1.21063100
 C                 -1.69447300   -3.09635500   -1.20626300
 C                 -1.97988300   -1.75746400   -0.95682300
 C                 -0.89082000   -0.92223800   -0.74374700
 H                  1.68318000   -3.05390500   -0.84817400
 H                 -0.16326800   -4.58435800   -1.41186400
 H                 -2.49452100   -3.80521300   -1.38478800
 C                 -3.37821600   -1.13408200   -0.85967900
 O                 -1.15106200    0.41782900   -0.49987700
 C                 -4.46086000   -2.18966200   -0.63557100
 H                 -5.44619900   -1.72167300   -0.57269300
 H                 -4.49414400   -2.88663500   -1.47570600
 H                 -4.28602200   -2.75928500    0.28071400
 C                 -3.68433600   -0.36904600   -2.16770300
 H                 -3.69722400   -1.06559600   -3.01028600
 H                 -4.66192300    0.11671400   -2.10044100
 H                 -2.93109300    0.39570800   -2.36705800
 C                 -3.31771100   -0.13011600    0.29641700
 C                 -2.14833000    0.60745800    0.39683700
 C                 -4.29505700    0.09112700    1.26292500
 C                 -1.88894700    1.49109800    1.43887500
 C                 -4.08106500    1.01579100    2.28426400
 H                 -5.22632300   -0.46147900    1.23579100
 C                 -2.88071300    1.71036600    2.38576200
 H                 -4.84994100    1.17913100    3.02687100
 H                 -2.72213100    2.39266300    3.21513500
 B                  1.55239000   -0.27119600   -0.10781600
 N                 -0.54293200    2.04342100    1.46760200
 C                 -0.37924700    3.14389000    0.47787100
 H                 -1.03871800    3.97445200    0.73813700
 H                  0.65988600    3.46495600    0.48959100
 H                 -0.60910700    2.76353900   -0.51276500
 C                 -0.10259000    2.47804900    2.80605200
 H                  0.96060500    2.70808100    2.74577700
 H                 -0.64367200    3.36834100    3.13216500
 H                 -0.25795100    1.66558100    3.51417700
 H                  0.90161800    0.34713000    0.93035300
 H                  0.19953800    1.15975300    1.15162300
 C                  2.80552400   -0.99701600    0.59764900
 C                  4.09692900   -0.96015300    0.06059000
 C                  2.62329500   -1.75003400    1.76577800
 C                  5.15622600   -1.64139000    0.65620800
 H                  4.28035500   -0.38959000   -0.84469400
 C                  3.67371900   -2.42383800    2.37582200
 H                  1.63045400   -1.80844900    2.20473500
 C                  4.94921700   -2.37244700    1.81935100
 H                  6.14514600   -1.59757500    0.21142300
 H                  3.49994500   -2.99329100    3.28316500
 H                  5.77281500   -2.89934000    2.28935700
 C                  1.89753000    0.99557900   -1.04452700
 C                  1.32795300    1.19403600   -2.30200600
 C                  2.76434500    1.99186900   -0.57101100
 C                  1.59285800    2.33568900   -3.05367800
 H                  0.65622500    0.44433800   -2.70368400
 C                  3.03433000    3.13843000   -1.30781000
 H                  3.23358500    1.86694000    0.40167200
 C                  2.44298400    3.31631000   -2.55569000
 H                  1.13300000    2.46096400   -4.02864800
 H                  3.70598200    3.89381000   -0.91251400
 H                  2.64936400    4.20880300   -3.13691000

 1 2 1.5 6 1.5 29 1.0
 2 3 1.5 7 1.0
 3 4 1.5 8 1.0
 4 5 1.5 9 1.0
 5 6 1.5 10 1.0
 6 11 1.0
 7
 8
 9
 10 12 1.0 16 1.0 20 1.0
 11 21 1.0
 12 13 1.0 14 1.0 15 1.0
 13
 14
 15
 16 17 1.0 18 1.0 19 1.0
 17
 18
 19
 20 21 1.5 22 1.5
 21 23 1.5
 22 24 1.5 25 1.0
 23 26 1.5 30 1.0
 24 26 1.5 27 1.0
 25
 26 28 1.0
 27
 28
 29 41 1.0 52 1.0
 30 31 1.0 35 1.0
 31 32 1.0 33 1.0 34 1.0
 32
 33
 34
 35 36 1.0 37 1.0 38 1.0
 36
 37
 38
 39
 40
 41 42 1.5 43 1.5
 42 44 1.5 45 1.0
 43 46 1.5 47 1.0
 44 48 1.5 49 1.0
 45
 46 48 1.5 50 1.0
 47
 48 51 1.0
 49
 50
 51
 52 53 1.5 54 1.5
 53 55 1.5 56 1.0
 54 57 1.5 58 1.0
 55 59 1.5 60 1.0
 56
 57 59 1.5 61 1.0
 58
 59 62 1.0
 60
 61
 62

