G4(MP2) Isomerization energy (kJ/mol)	
C17H12_pah023.log	76.167
C17H12_pah025.log	56.395
C17H12_pah028.log	55.422
C17H12_pah032.log	34.629
C17H12_pah026.log	34.596
C17H12_pah022.log	33.949
C17H12_pah027.log	33.557
C17H12_pah024.log	33.293
C17H12_pah029.log	8.396
C17H12_pah031.log	1.889
C17H12_pah030.log	0.000
C19H12_pah043.log	92.563
C19H12_pah044.log	91.826
C19H12_pah045.log	88.817
C19H12_pah050.log	82.734
C19H12_pah047.log	64.005
C19H12_pah048.log	48.166
C19H12_pah042.log	47.700
C19H12_pah041.log	47.540
C19H12_pah046.log	36.589
C19H12_pah052.log	30.829
C19H12_pah049.log	24.541
C19H12_pah051.log	0.000
C20H12_pah061.log	365.792
C20H12_pah055.log	193.551
C20H12_pah058.log	175.171
C20H12_pah066.log	143.357
C20H12_pah067.log	140.535
C20H12_pah054.log	135.531
C20H12_pah056.log	132.179
C20H12_pah062.log	117.393
C20H12_pah060.log	111.133
C20H12_pah064.log	110.162
C20H12_pah059.log	104.297
C20H12_pah057.log	101.076
C20H12_pah065.log	100.948
C20H12_pah063.log	93.490
C20H12_pah068.log	82.547
C20H12_pah070.log	69.427
C20H12_pah071.log	62.980
C20H12_pah069.log	51.919
C20H12_pah073.log	30.515
C20H12_pah074.log	12.021
C20H12_pah072.log	0.000
C21H14_pah104.log	65.019
C21H14_pah080.log	58.795
C21H14_pah081.log	56.406
C21H14_pah082.log	55.537
C21H14_pah085.log	46.515
C21H14_pah103.log	45.845
C21H14_pah099.log	38.963
C21H14_pah087.log	36.876
C21H14_pah083.log	36.572
C21H14_pah098.log	31.708
C21H14_pah102.log	29.695
C21H14_pah093.log	28.963
C21H14_pah105.log	23.881
C21H14_pah101.log	23.398
C21H14_pah088.log	21.898
C21H14_pah090.log	21.853
C21H14_pah091.log	18.047
C21H14_pah096.log	16.591
C21H14_pah084.log	15.762
C21H14_pah086.log	14.749
C21H14_pah097.log	13.495
C21H14_pah092.log	13.262
C21H14_pah094.log	8.942
C21H14_pah089.log	8.568
C21H14_pah106.log	7.735
C21H14_pah095.log	7.583
C21H14_pah100.log	0.000
C22H12_pah116.log	204.331
C22H12_pah115.log	171.177
C22H12_pah114.log	166.550
C22H12_pah117.log	139.801
C22H12_pah110.log	126.624
C22H12_pah109.log	117.149
C22H12_pah119.log	116.724
C22H12_pah111.log	115.057
C22H12_pah108.log	112.621
C22H12_pah118.log	109.066
C22H12_pah112.log	103.715
C22H12_pah107.log	99.571
C22H12_pah113.log	68.783
C22H12_pah121.log	26.995
C22H12_pah120.log	0.000
C22H14_pah133.log	77.714
C22H14_pah122.log	35.279
C22H14_pah125.log	35.019
C22H14_pah129.log	34.511
C22H14_pah124.log	22.045
C22H14_pah126.log	21.585
C22H14_pah128.log	21.145
C22H14_pah131.log	14.903
C22H14_pah123.log	8.461
C22H14_pah127.log	2.815
C22H14_pah130.log	2.261
C22H14_pah132.log	0.000
C23H14_pah145.log	85.973
C23H14_pah144.log	71.613
C23H14_pah143.log	65.969
C23H14_pah149.log	62.386
C23H14_pah141.log	61.245
C23H14_pah147.log	60.816
C23H14_pah146.log	59.163
C23H14_pah142.log	58.037
C23H14_pah138.log	56.110
C23H14_pah148.log	50.419
C23H14_pah139.log	44.894
C23H14_pah140.log	43.589
C23H14_pah150.log	41.237
C23H14_pah136.log	19.554
C23H14_pah135.log	17.369
C23H14_pah137.log	11.405
C23H14_pah151.log	2.653
C23H14_pah152.log	0.000
C24H14_pah160.log	355.359
C24H14_pah164.log	351.636
C24H14_pah162.log	291.092
C24H14_pah163.log	271.256
C24H14_pah174.log	268.560
C24H14_pah166.log	250.761
C24H14_pah176.log	249.561
C24H14_pah171.log	247.266
C24H14_pah175.log	241.573
C24H14_pah169.log	231.179
C24H14_pah168.log	230.534
C24H14_pah167.log	223.798
C24H14_pah173.log	215.810
C24H14_pah161.log	204.371
C24H14_pah177.log	195.166
C24H14_pah170.log	182.319
C24H14_pah165.log	176.002
C24H14_pah210.log	172.098
C24H14_pah178.log	172.074
C24H14_pah172.log	168.673
C24H14_pah209.log	167.744
C24H14_pah186.log	137.234
C24H14_pah203.log	136.236
C24H14_pah189.log	134.246
C24H14_pah207.log	129.483
C24H14_pah198.log	129.387
C24H14_pah199.log	129.311
C24H14_pah184.log	126.719
C24H14_pah193.log	126.429
C24H14_pah191.log	125.243
C24H14_pah194.log	123.278
C24H14_pah208.log	123.150
C24H14_pah185.log	123.062
C24H14_pah180.log	121.472
C24H14_pah201.log	120.970
C24H14_pah202.log	120.562
C24H14_pah182.log	116.560
C24H14_pah183.log	116.421
C24H14_pah190.log	115.038
C24H14_pah181.log	114.903
C24H14_pah206.log	113.937
C24H14_pah192.log	109.660
C24H14_pah216.log	108.693
C24H14_pah204.log	108.667
C24H14_pah211.log	108.646
C24H14_pah187.log	107.346
C24H14_pah218.log	106.276
C24H14_pah197.log	106.251
C24H14_pah195.log	102.035
C24H14_pah179.log	101.357
C24H14_pah188.log	94.692
C24H14_pah205.log	93.696
C24H14_pah196.log	92.657
C24H14_pah200.log	92.459
C24H14_pah215.log	91.468
C24H14_pah221.log	91.031
C24H14_pah226.log	87.537
C24H14_pah219.log	85.354
C24H14_pah217.log	82.045
C24H14_pah231.log	80.247
C24H14_pah222.log	74.835
C24H14_pah213.log	74.576
C24H14_pah240.log	73.478
C24H14_pah224.log	73.063
C24H14_pah233.log	69.688
C24H14_pah212.log	67.941
C24H14_pah230.log	66.650
C24H14_pah214.log	65.870
C24H14_pah228.log	63.406
C24H14_pah229.log	59.564
C24H14_pah227.log	58.348
C24H14_pah220.log	58.133
C24H14_pah223.log	54.942
C24H14_pah225.log	52.913
C24H14_pah232.log	33.552
C24H14_pah239.log	30.001
C24H14_pah241.log	29.935
C24H14_pah238.log	27.796
C24H14_pah244.log	25.803
C24H14_pah236.log	25.002
C24H14_pah243.log	15.478
C24H14_pah235.log	9.601
C24H14_pah242.log	7.987
C24H14_pah234.log	6.973
C24H14_pah237.log	0.000
C25H16_pah245.log	28.515
C25H16_pah249.log	27.499
C25H16_pah248.log	23.624
C25H16_pah247.log	20.340
C25H16_pah254.log	18.340
C25H16_pah251.log	10.686
C25H16_pah250.log	8.851
C25H16_pah246.log	8.519
C25H16_pah253.log	1.617
C25H16_pah252.log	0.000
C26H14_pah255.log	135.162
C26H14_pah256.log	134.343
C26H14_pah257.log	126.216
C26H14_pah261.log	88.766
C26H14_pah259.log	77.330
C26H14_pah258.log	76.326
C26H14_pah260.log	69.815
C26H14_pah269.log	43.537
C26H14_pah262.log	35.509
C26H14_pah267.log	30.735
C26H14_pah268.log	26.939
C26H14_pah264.log	21.486
C26H14_pah270.log	20.627
C26H14_pah263.log	9.456
C26H14_pah265.log	5.487
C26H14_pah266.log	0.000
C26H16_pah307.log	108.681
C26H16_pah301.log	62.176
C26H16_pah290.log	58.548
C26H16_pah288.log	57.336
C26H16_pah272.log	55.080
C26H16_pah293.log	51.217
C26H16_pah277.log	49.096
C26H16_pah274.log	47.766
C26H16_pah276.log	46.897
C26H16_pah298.log	42.786
C26H16_pah271.log	41.660
C26H16_pah303.log	38.681
C26H16_pah286.log	36.671
C26H16_pah275.log	36.558
C26H16_pah296.log	35.440
C26H16_pah285.log	34.027
C26H16_pah278.log	33.474
C26H16_pah280.log	33.028
C26H16_pah284.log	32.030
C26H16_pah273.log	31.141
C26H16_pah282.log	30.247
C26H16_pah305.log	30.119
C26H16_pah291.log	24.609
C26H16_pah279.log	23.956
C26H16_pah294.log	22.098
C26H16_pah300.log	21.457
C26H16_pah297.log	21.391
C26H16_pah292.log	21.021
C26H16_pah287.log	20.479
C26H16_pah281.log	16.624
C26H16_pah302.log	13.860
C26H16_pah289.log	13.493
C26H16_pah299.log	12.956
C26H16_pah295.log	5.423
C26H16_pah304.log	4.594
C26H16_pah283.log	0.123
C26H16_pah306.log	0.000
C28H14_pah312.log	288.559
C28H14_pah311.log	156.856
C28H14_pah313.log	99.686
C28H14_pah320.log	73.400
C28H14_pah319.log	51.037
C28H14_pah314.log	35.057
C28H14_pah317.log	31.051
C28H14_pah316.log	19.570
C28H14_pah318.log	12.665
C28H14_pah315.log	0.000
C28H16_pah328.log	126.549
C28H16_pah358.log	125.708
C28H16_pah322.log	124.484
C28H16_pah337.log	124.153
C28H16_pah323.log	108.275
C28H16_pah331.log	101.820
C28H16_pah324.log	97.153
C28H16_pah321.log	85.625
C28H16_pah346.log	78.147
C28H16_pah340.log	74.153
C28H16_pah350.log	70.237
C28H16_pah357.log	66.192
C28H16_pah330.log	62.443
C28H16_pah327.log	57.610
C28H16_pah363.log	54.348
C28H16_pah335.log	51.023
C28H16_pah354.log	47.083
C28H16_pah364.log	44.813
C28H16_pah334.log	42.345
C28H16_pah332.log	42.338
C28H16_pah329.log	40.391
C28H16_pah349.log	39.382
C28H16_pah353.log	39.136
C28H16_pah347.log	38.450
C28H16_pah333.log	36.544
C28H16_pah348.log	33.920
C28H16_pah343.log	31.286
C28H16_pah359.log	30.927
C28H16_pah345.log	30.230
C28H16_pah361.log	30.126
C28H16_pah325.log	29.926
C28H16_pah355.log	29.209
C28H16_pah326.log	26.973
C28H16_pah339.log	26.504
C28H16_pah342.log	26.020
C28H16_pah352.log	24.350
C28H16_pah356.log	23.184
C28H16_pah341.log	22.891
C28H16_pah351.log	22.694
C28H16_pah365.log	19.411
C28H16_pah368.log	18.977
C28H16_pah360.log	17.967
C28H16_pah362.log	17.197
C28H16_pah338.log	14.564
C28H16_pah367.log	12.069
C28H16_pah336.log	9.369
C28H16_pah366.log	8.181
C28H16_pah344.log	0.000
C36H16_pah632.log	85.349
C36H16_pah624.log	72.334
C36H16_pah621.log	38.962
C36H16_pah620.log	37.416
C36H16_pah628.log	30.129
C36H16_pah630.log	23.625
C36H16_pah631.log	21.071
C36H16_pah629.log	15.290
C36H16_pah627.log	13.238
C36H16_pah623.log	11.607
C36H16_pah625.log	7.312
C36H16_pah622.log	3.198
C36H16_pah626.log	0.000