diff --git a/ethane/B97-3c/model.jk b/ethane/B97-3c/model.jk
index bf3bdb2..7dc21cd 100644
--- a/ethane/B97-3c/model.jk
+++ b/ethane/B97-3c/model.jk
@@ -1 +1 @@
-{"scheme":["S -> E‡ -> S"],"compounds":{"S":{"logfile":"data/ethane/B97-3c/staggered.out","energy":-209483812.77142256,"mult":1,"atomnos":[6,6,1,1,1,1,1,1],"atommasses":[12.011,12.011,1.008,1.008,1.008,1.008,1.008,1.008],"atomcoords":[[-7.633588,2.520693,-4.8e-05],[-6.12441,2.689104,4.7e-05],[-7.925146,1.535366,-0.36324],[-8.117558,3.259536,-0.638459],[-8.047628,2.634298,1.001593],[-5.710369,2.575498,-1.001594],[-5.640439,1.950261,0.638459],[-5.832852,3.674431,0.363239]],"vibfreqs":[307.57,825.42,826.14,996.94,1216.71,1216.96,1408.49,1425.03,1511.25,1511.63,1514.41,1514.74,2993.92,2994.57,3043.57,3043.89,3071.11,3071.45],"vibdisps":[[[-1.7e-05,3.4e-05,5.4e-05],[-1.7e-05,3.4e-05,5.4e-05],[0.016674,-0.145285,0.381007],[0.028844,-0.255522,-0.317563],[-0.045314,0.400398,-0.064083],[-0.045314,0.400398,-0.064083],[0.028844,-0.255522,-0.317563],[0.016674,-0.145285,0.381007]],[[0.004629,-0.041501,0.024054],[0.004629,-0.041501,0.024054],[-0.334468,0.118949,-0.128462],[0.480808,0.197309,-0.069899],[-0.2015,0.178249,-0.088259],[-0.2015,0.178249,-0.088259],[0.480808,0.197309,-0.069899],[-0.334468,0.118949,-0.128462]],[[0.00273,-0.023884,-0.041789],[0.00273,-0.023884,-0.041789],[-0.39752,0.018581,0.177411],[-0.093104,0.111193,0.188664],[0.458095,0.154818,0.131863],[0.458095,0.154818,0.131863],[-0.093104,0.111193,0.188664],[-0.39752,0.018581,0.177411]],[[0.324784,0.036395,0.000166],[-0.324784,-0.036395,-0.000166],[0.361328,0.030783,-0.003626],[0.358862,0.047745,-0.006598],[0.358834,0.041304,0.009945],[-0.358834,-0.041304,-0.009945],[-0.358862,-0.047745,0.006598],[-0.361328,-0.030783,0.003626]],[[-0.011388,0.102474,-0.10264],[0.011388,-0.102474,0.10264],[0.213878,-0.085917,0.216906],[-0.487132,-0.082904,0.058336],[0.311012,-0.172636,0.067489],[-0.311012,0.172636,-0.067489],[0.487132,0.082904,-0.058336],[-0.213878,0.085917,-0.216906]],[[-0.011734,0.101958,0.10315],[0.011734,-0.101958,-0.10315],[0.451106,0.038595,-0.120801],[-0.031226,-0.174903,-0.200961],[-0.381118,-0.203787,-0.022715],[0.381118,0.203787,0.022715],[0.031226,0.174903,0.200961],[-0.451106,-0.038595,0.120801]],[[0.09238,0.01024,6.9e-05],[0.09238,0.01024,6.9e-05],[-0.383452,0.113071,0.058621],[-0.352916,-0.169196,0.104508],[-0.364398,-0.065893,-0.163945],[-0.364398,-0.065893,-0.163945],[-0.352915,-0.169196,0.104508],[-0.383452,0.113071,0.058621]],[[-0.102536,-0.011493,-0.000161],[0.102536,0.011493,0.000161],[0.380036,-0.119549,-0.060887],[0.348582,0.173801,-0.108508],[0.360576,0.06668,0.170225],[-0.360576,-0.06668,-0.170225],[-0.348582,-0.173801,0.108508],[-0.380036,0.119549,0.060887]],[[0.001947,-0.01826,-0.010349],[-0.001947,0.01826,0.010349],[0.302967,-0.101211,0.026584],[-0.132899,0.237239,0.376385],[-0.22208,0.338644,-0.131178],[0.222079,-0.338644,0.131178],[0.132899,-0.237239,-0.376384],[-0.302966,0.101211,-0.026584]],[[-0.001077,0.010405,-0.018223],[0.001077,-0.010405,0.018223],[-0.027163,-0.158312,0.452264],[0.249292,0.22397,0.067798],[-0.19332,-0.336278,-0.04307],[0.193319,0.336277,0.04307],[-0.249292,-0.22397,-0.067798],[0.027163,0.158312,-0.452263]],[[0.003895,-0.035391,-0.034042],[0.003895,-0.035391,-0.034042],[0.229402,-0.152522,0.14505],[-0.062486,0.304043,0.405827],[-0.213325,0.270183,-0.145249],[-0.213325,0.270183,-0.145249],[-0.062486,0.304043,0.405827],[0.229402,-0.152522,0.14505]],[[-0.003637,0.033864,-0.035571],[-0.003637,0.033864,-0.035571],[-0.074483,-0.134224,0.459602],[0.209963,0.159611,-0.026145],[-0.092139,-0.428894,-0.00961],[-0.092139,-0.428895,-0.00961],[0.209964,0.159611,-0.026145],[-0.074484,-0.134224,0.459603]],[[-0.035827,-0.004262,-7.3e-05],[0.035828,0.004262,7.3e-05],[0.100231,0.373004,0.137917],[0.171609,-0.279214,0.240158],[0.145482,-0.044017,-0.377229],[-0.145485,0.044018,0.377235],[-0.171612,0.279219,-0.240162],[-0.100233,-0.373011,-0.137919]],[[0.034445,0.003991,3.3e-05],[0.034445,0.003991,3.3e-05],[-0.097519,-0.372576,-0.137847],[-0.169602,0.280572,-0.241136],[-0.14332,0.044451,0.378594],[-0.143318,0.04445,0.378587],[-0.169599,0.280567,-0.241132],[-0.097517,-0.37257,-0.137845]],[[0.006697,-0.058627,-0.02723],[-0.006697,0.058627,0.02723],[0.148426,0.518242,0.189965],[-0.11047,0.164188,-0.162471],[-0.118104,0.019579,0.298654],[0.118105,-0.019579,-0.298654],[0.11047,-0.164189,0.162471],[-0.148426,-0.518243,-0.189965]],[[0.003057,-0.027079,0.059016],[-0.003057,0.027079,-0.059016],[0.010484,0.027942,0.028985],[-0.225845,0.356206,-0.297115],[0.178834,-0.059957,-0.438522],[-0.178834,0.059957,0.438522],[0.225845,-0.356206,0.297115],[-0.010484,-0.027942,-0.028985]],[[-0.006663,0.059028,0.027627],[-0.006663,0.059028,0.027627],[-0.151581,-0.518184,-0.189927],[0.110855,-0.163616,0.158946],[0.120121,-0.021561,-0.298208],[0.120121,-0.021561,-0.298208],[0.110855,-0.163616,0.158946],[-0.151581,-0.518183,-0.189927]],[[-0.003084,0.027462,-0.05941],[-0.003084,0.027462,-0.05941],[-0.011061,-0.030431,-0.027036],[0.228524,-0.354829,0.297829],[-0.180716,0.05803,0.437119],[-0.180716,0.05803,0.437119],[0.228524,-0.354829,0.297829],[-0.011061,-0.030431,-0.027036]]]},"E‡":{"logfile":"data/ethane/B97-3c/eclipsed.out","energy":-209472585.3539883,"mult":1,"atomnos":[6,6,1,1,1,1,1,1],"atommasses":[12.011,12.011,1.008,1.008,1.008,1.008,1.008,1.008],"atomcoords":[[-7.640622,2.51993,-1.6e-05],[-6.117405,2.689919,6.9e-05],[-7.940873,1.538498,-0.36297],[-8.132488,3.255146,-0.63439],[-8.062699,2.630374,0.997277],[-5.799545,3.513728,-0.636577],[-5.608028,1.797845,-0.360119],[-5.730333,2.893778,0.996894]],"vibfreqs":[-298.94,902.19,902.54,992.11,1168.85,1168.98,1410.01,1449.71,1513.01,1513.11,1521.54,1521.6,3003.48,3010.82,3055.51,3055.84,3077.75,3078.05],"vibdisps":[[[-6.7e-05,2.3e-05,3.4e-05],[6e-05,2.7e-05,5.5e-05],[0.016514,-0.145831,0.380853],[0.028635,-0.255083,-0.317857],[-0.045294,0.400519,-0.063463],[-0.028673,0.255754,0.316597],[-0.016461,0.144703,-0.381571],[0.045361,-0.40065,0.064389]],[[0.005052,-0.0461,-0.015742],[0.005291,-0.046254,-0.016276],[-0.515384,0.092518,0.048452],[0.244355,0.217145,0.10128],[0.208704,0.240127,0.040206],[-0.284409,0.159304,0.10256],[0.483371,0.203859,0.048702],[-0.25988,0.187511,0.040326]],[[-0.001803,0.015908,-0.046501],[-0.001647,0.015911,-0.046453],[-0.009501,-0.080377,0.220613],[-0.42079,-0.072514,0.179901],[0.450436,-0.036639,0.153482],[0.426601,0.022484,0.179858],[0.025282,-0.076128,0.219788],[-0.430921,-0.135967,0.153963]],[[-0.367816,-0.041086,-3.8e-05],[0.3678,0.041201,0.000174],[-0.343363,-0.053286,-0.006301],[-0.346753,-0.026206,-0.009991],[-0.345892,-0.036426,0.015609],[0.343956,0.050253,-0.010797],[0.346002,0.02338,-0.005643],[0.346235,0.040908,0.015494]],[[-0.015611,0.138315,0.039914],[0.015512,-0.138232,-0.039853],[0.499507,-0.009594,-0.000218],[-0.265727,-0.193383,-0.146049],[-0.181338,-0.26173,0.011912],[-0.299748,0.130436,0.145928],[0.483585,0.118412,0.000293],[-0.235095,0.214867,-0.012593]],[[0.004262,-0.039515,0.139201],[-0.00435,0.039771,-0.139112],[0.03504,0.093436,-0.24714],[0.409554,-0.011929,-0.149499],[-0.458407,0.050052,-0.071186],[0.398739,0.101098,0.14792],[0.051041,-0.084103,0.247102],[-0.434916,-0.151615,0.071751]],[[-0.092133,-0.010235,-0.000134],[-0.092116,-0.010126,-1.8e-05],[0.382845,-0.115412,-0.059382],[0.351653,0.17121,-0.105623],[0.363396,0.065975,0.166284],[0.379938,-0.089094,0.105405],[0.348842,0.196956,0.060865],[0.368767,0.012982,-0.165738]],[[0.084889,0.009486,0.000126],[-0.084943,-0.00932,-9e-05],[-0.3832,0.114527,0.058872],[-0.353047,-0.17069,0.105276],[-0.364092,-0.065624,-0.165403],[0.380107,-0.088521,0.104311],[0.350734,0.196368,0.061437],[0.370134,0.011959,-0.164922]],[[-0.002163,0.021298,0.002318],[0.002104,-0.021621,-0.000303],[-0.284957,0.027318,0.16795],[0.225128,-0.11784,-0.312923],[0.116833,-0.448324,0.100026],[0.204416,0.15458,0.305299],[-0.268877,-0.080745,-0.185385],[0.008162,0.468868,-0.098979]],[[7.5e-05,0.00046,-0.020933],[0.000157,-0.00215,0.022102],[0.112062,-0.185977,0.407767],[0.158368,0.304866,0.229211],[-0.269877,-0.141515,-0.100393],[0.233612,-0.264556,-0.222586],[0.062498,0.208134,-0.426211],[-0.299434,0.099186,0.098285]],[[-0.005342,0.048431,0.004616],[-0.005117,0.048216,0.005393],[-0.232976,0.033037,0.174508],[0.187595,-0.13396,-0.330741],[0.10936,-0.47625,0.105755],[-0.146389,-0.181981,-0.33812],[0.22057,0.090838,0.158251],[-0.013533,-0.483299,0.111079]],[[-0.000517,0.005452,-0.048824],[-0.000408,0.004481,-0.048338],[0.079906,-0.200684,0.45754],[0.140484,0.312898,0.22407],[-0.213565,-0.183662,-0.095939],[-0.192092,0.274139,0.229243],[-0.04378,-0.210159,0.439233],[0.24007,-0.110887,-0.096387]],[[0.034886,0.004259,-1.5e-05],[0.035024,0.003898,-8e-06],[-0.099923,-0.372857,-0.138507],[-0.170594,0.278532,-0.238819],[-0.145176,0.043549,0.377525],[-0.106049,-0.311304,0.241881],[-0.1789,0.34066,0.136866],[-0.132385,-0.075782,-0.37868]],[[-0.036907,-0.004557,2.8e-05],[0.036844,0.00427,1.8e-05],[0.100079,0.374338,0.139074],[0.170583,-0.278971,0.239184],[0.145343,-0.04372,-0.378578],[-0.105796,-0.311221,0.24183],[-0.177518,0.33858,0.136039],[-0.131941,-0.075593,-0.378092]],[[-0.006281,0.05419,0.03695],[0.006029,-0.053494,-0.036724],[-0.147839,-0.508117,-0.184245],[0.074298,-0.106631,0.1125],[0.148118,-0.02925,-0.367388],[0.046664,0.113712,-0.107644],[-0.254389,0.460386,0.181504],[0.136158,0.061607,0.362587]],[[0.004226,-0.036368,0.053759],[-0.004154,0.036846,-0.054641],[0.034513,0.11033,0.057631],[-0.241743,0.375465,-0.317078],[0.157082,-0.053628,-0.379388],[-0.154912,-0.423523,0.321964],[0.060221,-0.104185,-0.059228],[0.143985,0.089845,0.386604]],[[0.005816,-0.05093,-0.039475],[0.005785,-0.05164,-0.039763],[0.144459,0.495932,0.178075],[-0.05816,0.080385,-0.092701],[-0.155597,0.0306,0.385066],[0.03901,0.09071,-0.092969],[-0.253792,0.458837,0.179316],[0.145837,0.065717,0.387387]],[[-0.004542,0.039531,-0.052102],[-0.004384,0.03921,-0.051133],[-0.043374,-0.139271,-0.070513],[0.249241,-0.386118,0.326705],[-0.151789,0.05432,0.364647],[-0.155609,-0.423849,0.322837],[0.074572,-0.129372,-0.071023],[0.133315,0.086028,0.35746]]]}}}
\ No newline at end of file
+{"scheme":["S -> E‡ -> 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\ No newline at end of file