1,4-Dimethoxytriptindane C25H20O2, D. Kuck, Bielefeld University, Germany, PCCP 21 (2019) 4568-4577 C (CM-1) COUNTS ERROR 24.2571,1.17648,0.0522654 24.3784,1.2449,0.0538261 24.5003,1.22207,0.0534221 24.6228,1.27087,0.0541919 24.7459,1.24011,0.0531417 24.8696,1.16683,0.0514103 24.994,1.19597,0.051945 25.119,1.27993,0.0536859 25.2446,1.31701,0.0542951 25.3708,1.30117,0.053868 25.4976,1.28898,0.0534098 25.6251,1.27653,0.0529597 25.7533,1.24727,0.0522661 25.882,1.27661,0.0526696 26.0114,1.28227,0.0527148 26.1415,1.26001,0.0519871 26.2722,1.38069,0.0544534 26.4036,1.33946,0.0535329 26.5356,1.2874,0.0522234 26.6682,1.32117,0.0528668 26.8016,1.35544,0.053331 26.9356,1.40278,0.0541605 27.0703,1.43528,0.0546401 27.2056,1.40272,0.0538561 27.3417,1.39642,0.0538344 27.4784,1.43639,0.0543066 27.6158,1.41549,0.0537637 27.7538,1.40979,0.0535161 27.8926,1.42642,0.0536452 28.0321,1.43842,0.0539329 28.1722,1.5418,0.0556669 28.3131,1.5383,0.055443 28.4547,1.56463,0.0557847 28.5969,1.51854,0.054895 28.7399,1.579,0.055854 28.8836,1.52665,0.0547174 29.028,1.51791,0.0545581 29.1732,1.56316,0.0551928 29.319,1.60869,0.0558684 29.4656,1.54262,0.0545667 29.613,1.62019,0.0557698 29.761,1.58732,0.0551051 29.9098,1.58779,0.0550251 30.0594,1.65845,0.0561244 30.2097,1.73955,0.0573197 30.3607,1.7016,0.0566241 30.5125,1.61211,0.0549682 30.6651,1.74799,0.0571329 30.8184,1.71905,0.056622 30.9725,1.74474,0.0567862 31.1274,1.80866,0.0577242 31.283,1.83351,0.0579822 31.4394,1.82371,0.0577396 31.5966,1.88878,0.0586204 31.7546,1.90851,0.0588695 31.9134,1.91697,0.0587408 32.0729,1.9431,0.0590904 32.2333,1.93879,0.0588362 32.3945,2.00044,0.059674 32.5564,2.08693,0.0608202 32.7192,2.14216,0.0615483 32.8828,2.08001,0.0605715 33.0472,1.96379,0.0586884 33.2125,2.10254,0.0606506 33.3785,2.12001,0.0607828 33.5454,2.01836,0.0591703 33.7132,2.04195,0.0594782 33.8817,1.94486,0.0577556 34.0511,2.00184,0.0584538 34.2214,1.91372,0.0571208 34.3925,1.81948,0.0555461 34.5645,1.85515,0.0558925 34.7373,1.84909,0.055772 34.911,1.90145,0.05647 35.0855,1.84193,0.0554126 35.2609,1.7681,0.0542441 35.4373,1.85901,0.055442 35.6144,1.72037,0.0531386 35.7925,1.79529,0.0541657 35.9715,1.79269,0.0541063 36.1513,1.73592,0.0530822 36.3321,1.67261,0.0519532 36.5137,1.7731,0.0534091 36.6963,1.87771,0.0548522 36.8798,1.84232,0.0543113 37.0642,1.79109,0.0534031 37.2495,1.85283,0.0541303 37.4358,1.77655,0.0528604 37.6229,1.85293,0.0539102 37.8111,1.89514,0.0544277 38.0001,1.82273,0.0532252 38.1901,1.81335,0.0529957 38.3811,1.89266,0.0540338 38.573,1.83395,0.0531076 38.7658,1.74708,0.0517113 38.9597,1.80948,0.052548 39.1545,1.70433,0.0508599 39.3502,1.75977,0.0514948 39.547,1.70998,0.0506336 39.7447,1.71811,0.0506612 39.9434,1.75367,0.0510803 40.1432,1.73864,0.0507358 40.3439,1.80318,0.0516224 40.5456,1.91738,0.0530826 40.7483,1.94077,0.0533273 40.9521,1.91864,0.0529924 41.1568,1.93508,0.0530153 41.3626,2.05906,0.0545709 41.5694,2,0.0536727 41.7773,2.02289,0.0538539 41.9862,2.04292,0.0540262 42.1961,2.03736,0.0538139 42.4071,2.04315,0.0537717 42.6191,2.06551,0.0538841 42.8322,2.06464,0.0537787 43.0464,2.02409,0.0531119 43.2616,2.06428,0.053599 43.4779,2.09017,0.0538659 43.6953,2.03805,0.0530004 43.9138,2.15131,0.0543893 44.1333,2.04789,0.0529352 44.354,2.10414,0.0535728 44.5758,2.12678,0.053699 44.7987,2.07849,0.0529776 45.0226,2.1094,0.0532685 45.2478,2.0537,0.0524558 45.474,2.16033,0.0536965 45.7014,1.9913,0.0514572 45.9299,2.07169,0.0524103 46.1595,2.13838,0.0531723 46.3903,2.13654,0.0530068 46.6223,2.1739,0.053298 46.8554,2.18656,0.0533426 47.0897,2.17092,0.0530685 47.3251,2.1255,0.0524068 47.5617,2.1814,0.0530405 47.7995,2.14327,0.0523438 48.0385,2.11841,0.0520597 48.2787,2.09561,0.0516458 48.5201,2.22781,0.0531189 48.7627,2.27276,0.0535498 49.0065,2.26167,0.053334 49.2516,2.34319,0.0542094 49.4978,2.41001,0.0548406 49.7453,2.34361,0.053979 49.994,2.42165,0.0547814 50.244,2.39873,0.0544614 50.4952,2.41801,0.0545467 50.7477,2.42397,0.0545111 51.0015,2.39486,0.0540924 51.2565,2.29223,0.0527952 51.5127,2.34569,0.0533415 51.7703,2.22668,0.0518783 52.0292,2.29767,0.0526123 52.2893,2.20107,0.0514258 52.5507,2.31074,0.0525934 52.8135,2.12816,0.0503273 53.0776,2.26037,0.0517657 53.343,2.19441,0.0509592 53.6097,2.25173,0.0515423 53.8777,2.24332,0.0513578 54.1471,2.24773,0.0512994 54.4178,2.20877,0.0507293 54.6899,2.28386,0.0515531 54.9634,2.2281,0.0508663 55.2382,2.35455,0.0522227 55.5144,2.26846,0.0511719 55.792,2.25532,0.0509998 56.0709,2.29475,0.0512532 56.3513,2.22557,0.0503723 56.633,2.2319,0.0503405 56.9162,2.35455,0.0516244 57.2008,2.31531,0.0511342 57.4868,2.42355,0.0522516 57.7742,2.44296,0.0523872 58.0631,2.44935,0.0523548 58.3534,2.44593,0.0522871 58.6452,2.48363,0.0525947 58.9384,2.65171,0.0542938 59.2331,2.58425,0.0534925 59.5293,2.48833,0.0524472 59.8269,2.48147,0.0522582 60.126,2.44754,0.0518309 60.4267,2.36601,0.0508711 60.7288,2.1699,0.04864 61.0324,2.18868,0.0487576 61.3376,2.06923,0.0473421 61.6443,1.97702,0.0462136 61.9525,2.05281,0.0469985 62.2623,1.93315,0.0455642 62.5736,1.93122,0.0454363 62.8865,1.83294,0.0442089 63.2009,1.92514,0.0452824 63.5169,1.91111,0.0449924 63.8345,1.76838,0.0431719 64.1537,1.74308,0.0428359 64.4744,1.80811,0.0436017 64.7968,1.80069,0.0434114 65.1208,1.74771,0.0427088 65.4464,1.77086,0.0429173 65.7736,1.78992,0.0431172 66.1025,1.82232,0.0433893 66.433,1.87458,0.0439971 66.7652,1.89155,0.0441442 67.099,2.0145,0.0454959 67.4345,2.0841,0.0461975 67.7716,2.01215,0.0453388 68.1105,2.03586,0.0455564 68.4511,2.12518,0.0464897 68.7933,2.01868,0.045283 69.1373,1.94341,0.0444021 69.483,1.91735,0.0440362 69.8304,1.89579,0.0437372 70.1795,1.8092,0.0427104 70.5304,1.81212,0.0426776 70.8831,1.89208,0.0435608 71.2375,1.95129,0.0441836 71.5937,1.93684,0.0440159 71.9517,1.92686,0.0437996 72.3114,2.02236,0.0448356 72.673,2.13589,0.0459781 73.0363,2.1879,0.0465359 73.4015,2.24454,0.0470809 73.7685,2.32937,0.0478435 74.1374,2.34245,0.0479622 74.5081,2.54713,0.0499435 74.8806,2.57571,0.0501597 75.255,2.71141,0.0514115 75.6313,2.59691,0.0502657 76.0094,2.52704,0.0495081 76.3895,2.53332,0.0494677 76.7714,2.41956,0.0483332 77.1553,2.21415,0.0461707 77.5411,2.09252,0.0448267 77.9288,2.00585,0.0437919 78.3184,1.95951,0.0432136 78.71,1.9096,0.0426234 79.1035,1.87932,0.0422284 79.4991,1.81784,0.0414974 79.8966,1.70873,0.0401699 80.296,1.65186,0.0394744 80.6975,1.49506,0.0374751 81.101,1.44317,0.0367481 81.5065,1.41407,0.0363631 81.9141,1.30092,0.0348203 82.3236,1.24998,0.0340721 82.7352,1.18403,0.0330936 83.1489,1.26869,0.0341642 83.5647,1.35403,0.0352444 83.9825,1.50964,0.0371587 84.4024,1.703,0.0394269 84.8244,1.9802,0.0424684 85.2485,2.19621,0.044713 85.6748,2.45314,0.0471811 86.1031,2.57569,0.0483396 86.5337,2.61993,0.0487208 86.9663,2.61763,0.0486316 87.4012,2.54624,0.0479031 87.8382,2.52361,0.0476607 88.2774,2.50184,0.0473402 88.7187,2.62952,0.0485021 89.1623,2.69338,0.0489535 89.6082,2.93763,0.0511208 90.0562,3.21101,0.0533724 90.5065,3.24457,0.0535499 90.959,3.33928,0.0542834 91.4138,3.37474,0.0544839 91.8709,3.50137,0.0553959 92.3302,3.51277,0.0554152 92.7919,3.51647,0.0553946 93.2558,3.34886,0.0539746 93.7221,3.25505,0.0531211 94.1907,3.31492,0.053535 94.6617,3.18763,0.0524375 95.135,3.13625,0.0519301 95.6107,3.16993,0.0521394 96.0887,3.02394,0.0507953 96.5692,2.98782,0.0504028 97.052,2.94991,0.0499783 97.5373,3.08809,0.0510764 98.0249,3.21922,0.0520976 98.5151,3.31505,0.0527857 99.0076,3.53162,0.0543642 99.5027,3.70255,0.0556193 100,3.84392,0.0565802 100.5,3.93948,0.0571965 101.003,4.02523,0.0577549 101.508,3.87799,0.056635 102.015,3.84317,0.0563051 102.525,3.5729,0.054209 103.038,3.34205,0.0523865 103.553,3.09998,0.0503654 104.071,2.96327,0.0491956 104.591,2.8103,0.0478444 105.114,2.6109,0.0460635 105.64,2.58883,0.0457711 106.168,2.46154,0.0445995 106.699,2.60275,0.0457375 107.232,2.82516,0.0476132 107.768,2.88189,0.0481022 108.307,3.04384,0.0493719 108.849,2.93603,0.0484303 109.393,2.88006,0.0479317 109.94,2.70244,0.0463605 110.49,2.65879,0.0458959 111.042,2.73933,0.0465092 111.597,2.72829,0.046403 112.155,2.86701,0.04754 112.716,2.91484,0.047908 113.28,2.97273,0.0483228 113.846,2.85698,0.0473246 114.415,2.87772,0.0474558 114.987,3.00627,0.0484778 115.562,2.94097,0.0478927 116.14,2.93673,0.0478119 116.721,2.93918,0.0478355 117.305,2.7571,0.0463065 117.891,2.53878,0.04444 118.481,2.28451,0.0421181 119.073,1.80628,0.0374387 119.668,1.37177,0.032618 120.267,1.10762,0.0292746 120.868,0.99015,0.0276655 121.472,0.863192,0.0258436 122.08,0.852521,0.0256483 122.69,0.813544,0.0250351 123.304,0.803943,0.0248621 123.92,0.749812,0.0240007 124.54,0.798834,0.0247355 125.162,0.804879,0.0248248 125.788,0.833031,0.0252351 126.417,0.855045,0.0255522 127.049,0.891804,0.0260743 127.684,0.978989,0.0273262 128.323,1.07196,0.0285267 128.964,1.21968,0.0303849 129.609,1.44072,0.033025 130.257,1.71994,0.0360419 130.909,2.0637,0.0395166 131.563,2.28095,0.0414987 132.221,2.45214,0.0430075 132.882,2.70841,0.0451254 133.546,2.91569,0.046805 134.214,3.13317,0.0485428 134.885,3.30201,0.0498014 135.56,3.40383,0.0505433 136.238,3.24252,0.0492922 136.919,2.98544,0.0473279 137.603,2.66606,0.0447104 138.291,2.31124,0.0416146 138.983,1.95593,0.0382056 139.678,1.80784,0.0367044 140.376,1.79242,0.036481 141.078,1.877,0.0373092 141.783,2.03263,0.038831 142.492,2.09836,0.039428 143.205,2.10175,0.0394195 143.921,2.0502,0.0388839 144.64,2.22272,0.0404974 145.364,2.27344,0.0409309 146.09,2.40374,0.0420771 146.821,2.42326,0.0422306 147.555,2.63254,0.0439899 148.293,2.64834,0.0440885 149.034,2.78874,0.0452383 149.779,2.74639,0.0448638 150.528,2.74896,0.0448586 151.281,2.671,0.0441543 152.037,2.91712,0.0461581 152.797,3.12515,0.0477601 153.561,3.27751,0.0488892 154.329,3.21698,0.0484088 155.101,3.07022,0.047275 155.876,2.85871,0.0456072 156.656,2.47811,0.0424665 157.439,2.08832,0.0389632 158.226,1.6714,0.0348207 159.017,1.39069,0.031753 159.812,1.19127,0.0293775 160.612,1.18701,0.0293301 161.415,1.05555,0.0276751 162.222,1.03792,0.0273885 163.033,1.00628,0.026967 163.848,1.01399,0.0270703 164.667,0.998554,0.0268505 165.491,1.0206,0.0271504 166.318,1.02989,0.0272735 167.15,1.18517,0.029249 167.985,1.40729,0.0318588 168.825,1.72638,0.0352913 169.669,2.08926,0.0388595 170.518,2.35019,0.0412051 171.37,2.45735,0.0421434 172.227,2.35515,0.0412719 173.088,2.1816,0.039686 173.954,2.11952,0.039121 174.823,2.06721,0.038625 175.698,2.03461,0.0383363 176.576,2.04331,0.0384316 177.459,2.02038,0.0382311 178.346,1.88143,0.0368942 179.238,1.68637,0.0349147 180.134,1.56059,0.0335891 181.035,1.49183,0.032821 181.94,1.50114,0.0328991 182.85,1.79877,0.0359988 183.764,2.33674,0.0410178 184.683,3.18418,0.0478894 185.606,3.81612,0.05243 186.534,3.98798,0.0536626 187.467,3.62424,0.0511534 188.404,2.86719,0.0454916 189.346,2.01307,0.0381194 190.293,1.51291,0.0330399 191.244,1.20988,0.0295322 192.201,1.11564,0.0283719 193.162,1.01086,0.0269794 194.128,1.00318,0.0268893 195.098,0.997208,0.0268012 196.074,0.941207,0.026026 197.054,0.939533,0.0259943 198.039,0.901476,0.0254528 199.029,0.891856,0.0253362 200.025,0.844416,0.0246352 201.025,0.882808,0.0251899 202.03,0.880483,0.0251805 203.04,0.912087,0.0256073 204.055,0.875904,0.0251012 205.075,0.888935,0.0252584 206.101,0.898941,0.0254131 207.131,0.905291,0.0255298 208.167,0.937927,0.0259594 209.208,0.995259,0.0267563 210.254,0.992582,0.0266921 211.305,1.07482,0.0277859 212.362,1.16598,0.028985 213.424,1.36993,0.0313866 214.491,1.73288,0.0353094 215.563,2.31985,0.0408452 216.641,2.9192,0.045853 217.724,3.41019,0.0495777 218.813,3.30218,0.0488151 219.907,2.81007,0.0450864 221.006,2.29437,0.0407289 222.111,2.31108,0.0408731 223.222,2.93651,0.0460672 224.338,3.99008,0.0536982 225.46,4.81775,0.0590379 226.587,4.85295,0.0592474 227.72,3.76249,0.0521548 228.859,2.4422,0.0419981 230.003,1.75936,0.0356464 231.153,1.47585,0.0326782 232.309,1.24843,0.0300535 233.47,1.2113,0.0296133 234.638,1.24542,0.0299926 235.811,1.24664,0.0300062 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