# Energies for B3LYP using 3-21g
MB16-43-4-AlH3.gif_ -242.862242825
ADIM6-2-AM3.gif_ -118.501781478
HEAVY28-24-h2s.gif_ -397.412195698
HAL59-38-OCH2.gif_ -113.859751985
DC13-12-o3_c2h4_add.gif_ -302.419455826
WATER27-17-H3Op.gif_ -76.2756238962
HAL59-38-BrBr.gif_ -5123.57036647
MCONF-30-31.gif_ -760.771353056
CARBHB12-3-3O_A.gif_ -75.9719975137
CARBHB12-3-3O_B.gif_ -289.086751200
RSE43-28-E30.gif_ -227.783548901
YBDE18-1-cbh22.gif_ -89.6287851820
BUT14DIOL-39-B40.gif_ -307.163234519
PNICO23-13-13b.gif_ -154.848533117
MB16-43-4-SiH4.gif_ -290.345633307
CARBHB12-11-3CL.gif_ -747.683288603
AHB21-15-15B.gif_ -56.2273221494
W4-11-85-c.gif_ -37.6426964829
AHB21-15-15A.gif_ -396.843685176
Amino20x4-56-PHE_xal.gif_ -722.910186277
YBDE18-1-f2s.gif_ -594.728480914
G2RC-15-11.gif_ -56.2280687388
FH51-25-H2.gif_ -1.17059721788
MB16-43-31-Cl2.gif_ -915.932663582
W4-11-138-o.gif_ -74.6602935932
MB16-43-4-H2.gif_ -1.17060603781
Amino20x4-56-PHE_xaw.gif_ -722.912041090
BUT14DIOL-39-B1.gif_ -307.176774911
ADIM6-2-AD3.gif_ -237.004157409
HAL59-1-PhBr.gif_ -2792.18137971
ISO34-12-E12.gif_ -270.079422275
RSE43-43-P45.gif_ -196.034586663
PCONF21-7-99.gif_ -965.473719803
AHB21-15-15.gif_ -453.091694003
MB16-43-31-O2.gif_ -149.474204292
WATER27-17-H3OpH2O3.gif_ -304.402815545
RG18-15-ne.gif_ -128.203678601
ISOL24-13-i13e.gif_ -570.853535151
INV24-12-Dibenzocycloheptene.gif_ -575.645719578
WATER27-20-H2O.gif_ -75.9719479403
ACONF-5-H_ttt.gif_ -235.804635522
HEAVY28-5-hbr.gif_ -2562.38669671
ISOL24-13-i13p.gif_ -570.818850347
PCONF21-8-99.gif_ -965.473719803
G21EA-25-EA_25.gif_ -916.072214912
S66-24-24A.gif_ -230.975651324
W4-11-58-cl.gif_ -457.945732517
HAL59-56-27_CH3Br-benAB.gif_ -2832.47124342
S66-24-24B.gif_ -230.975651391
HAL59-21-NH3_FCl.gif_ -613.456547389
WATER27-20-OHmH2O.gif_ -151.321695487
BH76-54-C2H5.gif_ -78.7279579904
BHPERI-17-13ts_7a.gif_ -246.998428342
W4-11-92-n.gif_ -54.2954627446
RC21-4-2e.gif_ -232.056886593
G2RC-15-1.gif_ -1.17060469604
UPU23-5-2p.gif_ -2300.15681535
CARBHB12-6-2N_B.gif_ -535.447409763
BH76-6-hclhts.gif_ -459.064289968
MB16-43-31-F2.gif_ -198.438770218
ALKBDE10-1-f.gif_ -99.1821673337
RG18-1-ne.gif_ -128.203678601
ACONF-5-H_gtt.gif_ -235.803561903
BH76RC-16-fch3fts.gif_ -238.193558753
PCONF21-18-SER_b.gif_ -1059.84310519
SIE4x4-10-nh3.gif_ -56.2277256775
MB16-43-31-CH4.gif_ -40.3015927264
W4-11-12-b2h6.gif_ -52.9814074885
INV24-12-Dibenzocycloheptene_TS.gif_ -575.628123894
ICONF-16-H4P2O7_3.gif_ -1205.29719257
ICONF-16-H4P2O7_1.gif_ -1205.29640150
PArel-5-T3.gif_ -451.961757003
PArel-5-T1.gif_ -451.976236389
PCONF21-18-SER_ab.gif_ -1059.84856872
W4-11-39-h.gif_ -0.497311436764
SIE4x4-10-nh32+_1.25.gif_ -112.191546453
BH76-18-clch3clts.gif_ -955.775039365
MB16-43-31-AlH3.gif_ -242.862242825
SIE4x4-10-nh3+.gif_ -55.8856534145
MB16-43-31-P2.gif_ -679.226702781
W4-11-39-c.gif_ -37.6426964829
SCONF-10-C1.gif_ -647.667392753
S66-11-11.gif_ -342.493207317
W4-11-12-h.gif_ -0.497311436764
HAL59-1-PCH.gif_ -378.052344022
S66-45-45B.gif_ -196.703500877
CARBHB12-4-4O_A.gif_ -303.111948264
CARBHB12-4-4O_B.gif_ -75.9730074599
W4-11-12-b.gif_ -24.5186288965
MB16-43-4-CH4.gif_ -40.3015927264
MB16-43-31-31.gif_ -2322.15042491
MB16-43-4-O2.gif_ -149.474204292
IL16-3-147A.gif_ -134.808634105
UPU23-5-1p.gif_ -2300.15047671
ISO34-7-P7.gif_ -155.115972040
G21IP-28-26.gif_ -78.1609866308
DC13-12-c2h4.gif_ -78.1609812609
AHB21-1-1B.gif_ -56.2266574093
CARBHB12-4-4O.gif_ -379.114830611
W4-11-85-co2.gif_ -187.522080960
CARBHB12-3-3O.gif_ -365.063836096
BHPERI-1-TS1.gif_ -155.064434851
CDIE20-14-R48.gif_ -271.197976970
CARBHB12-6-2N.gif_ -591.683364099
BUT14DIOL-63-B1.gif_ -307.176774911
CDIE20-14-P48.gif_ -271.190973604
PNICO23-17-17.gif_ -496.337168570
HAL59-43-MeI_pyr.gif_ -7177.18000462
ACONF-8-H_gtg.gif_ -235.802403285
IL16-3-147.gif_ -658.354279939
S66-45-45.gif_ -273.611424833
ISO34-12-P12.gif_ -270.003128246
RG18-15-c2h6Ne.gif_ -207.605664544
G21EA-21-EA_21n.gif_ -129.144039933
RSE43-30-P32.gif_ -114.405378927
W4-11-58-becl2.gif_ -930.817150236
HAL59-56-27_CH3Br-benB.gif_ -2601.49593020
BHROT27-20-bithiophene_anti.gif_ -1099.16782204
HAL59-56-27_CH3Br-benA.gif_ -230.975654337
PArel-10-sugar0.gif_ -648.037459242
PArel-10-sugar2.gif_ -648.025368286
HEAVY28-24-teh2.gif_ -6587.03805314
BHROT27-1-ethane_ecl.gif_ -79.3956033111
MCONF-7-8.gif_ -760.772464190
HEAVY28-5-bih3.gif_
MCONF-42-43.gif_ -760.767146534
BHPERI-23-00r.gif_ -78.1610329523
W4-11-85-o.gif_ -74.6602935932
PArel-20-c2cl43.gif_ -1907.90063837
PArel-20-c2cl41.gif_ -1907.89109434
BHPERI-1-Cyclobutene.gif_ -155.116040708
ALKBDE10-1-bef.gif_ -113.990944266
BH76-18-cl-.gif_ -458.057086918
S66-11-11A.gif_ -95.3224599606
S66-11-11B.gif_ -247.155224438
CARBHB12-6-2N_A.gif_ -56.2280477762
BH76-74-NH3.gif_ -56.2279286788
MB16-43-31-H2.gif_ -1.17060603781
BHPERI-17-13r_7.gif_ -168.836746049
ISO34-7-E7.gif_ -155.140431153
BHPERI-23-06ts.gif_ -287.132336198
CDIE20-2-P20.gif_ -192.943066643
CDIE20-2-R21.gif_ -192.951939006
S66-31-31.gif_ -490.685496346
BH76-74-RKT21.gif_ -95.8452294724
HEAVY28-24-teh2_h2s.gif_ -6984.44956159
AHB21-1-1A.gif_ -99.1504201943
DC13-12-o3.gif_ -224.117527299
HEAVY28-5-bih3_hbr.gif_
W4-11-104-cs2.gif_ -830.341909128
BHPERI-23-05r.gif_ -209.012193759
CARBHB12-11-3CL_B.gif_ -289.086551736
CARBHB12-11-3CL_A.gif_ -458.588860534
BHROT27-1-ethane_st.gif_ -79.3998597470
BSR36-4-h4.gif_ -235.803803719
BHPERI-26-00r.gif_ -78.1610329523
BH76-54-H2O.gif_ -75.9714043734
HAL59-21-FCl.gif_ -557.194224393
MB16-43-31-BH3.gif_ -26.4622626220
S66-17-17.gif_ -825.090463609
HAL59-8-NCH_PhI.gif_ -7213.85041474
ACONF-8-H_ttt.gif_ -235.804635522
SIE4x4-7-he+.gif_ -1.97660210043
WATER27-17-H2O.gif_ -75.9719479403
ACONF-2-P_TG.gif_ -196.702485860
W4-11-138-o3.gif_ -224.134357550
PCONF21-8-691.gif_ -965.472641304
YBDE18-1-f2s-cbh22.gif_ -684.397411673
W4-11-37-h.gif_ -0.497311436764
ACONF-2-P_TT.gif_ -196.703553815
PNICO23-13-13a.gif_ -154.848533117
W4-11-92-n2.gif_ -108.892076370
HAL59-43-pyr.gif_ -246.911926037
W4-11-37-c.gif_ -37.6426964829
SIE4x4-7-he2+_1.5.gif_ -4.97007244712
Amino20x4-48-LYS_xat.gif_ -665.464369335
BSR36-4-ch4.gif_ -40.3014337178
Amino20x4-48-LYS_xap.gif_ -665.465051015
RC21-4-2p2.gif_ -153.516882232
RC21-4-2p3.gif_ -78.4191614351
S66-17-17A.gif_ -412.522154270
BUT14DIOL-28-B1.gif_ -307.176774911
SIE4x4-7-he.gif_ -2.88600130979
S66-17-17B.gif_ -412.522331521
IL16-3-147B.gif_ -523.330192335
S66-31-31A.gif_ -412.522779043
S66-45-45A.gif_ -76.9070415948
BUT14DIOL-28-B29.gif_ -307.163111538
MCONF-22-1.gif_ -760.779311044
HAL59-43-MeI.gif_ -6930.25989568
RSE43-43-E45.gif_ -196.708559123
BH76-54-RKT09.gif_ -154.704161391
INV24-22-BN_Sumanene.gif_ -834.239428277
W4-11-58-be.gif_ -14.5838411624
WATER27-20-OHm.gif_ -75.2405206816
HAL59-1-PCH_PhBr.gif_ -3170.23559044
G21EA-5-EA_p-.gif_ -339.548709645
W4-11-136-cl.gif_ -457.945732517
W4-11-136-cloo.gif_ -607.428234460
DC13-6-carbooxo2.gif_ -565.122162088
INV24-22-BN_Sumanene_TS.gif_ -834.216198289
BHPERI-26-09ts.gif_ -628.303673676
DC13-6-carbooxo1.gif_ -565.186992898
W4-11-104-s.gif_ -396.162245912
RG18-15-c2h6.gif_ -79.4003977568
MCONF-22-23.gif_ -760.767298626
HAL59-8-NCH.gif_ -92.9068722342
W4-11-37-ch2ch.gif_ -77.4758768555
SCONF-10-C11.gif_ -647.641245851
MCONF-30-1.gif_ -760.779311044
CHB6-1-22.gif_ -83.3025595817
W4-11-104-c.gif_ -37.6426964829
CHB6-1-22B.gif_ -75.9724270611
CHB6-1-22A.gif_ -7.23362019537
HAL59-38-BrBr_OCH2.gif_ -5237.44279833
MCONF-42-1.gif_ -760.779311044
HAL59-8-PhI.gif_ -7120.93793051
G21EA-5-EA_p.gif_ -339.548419596
G21IP-28-IP_72.gif_ -77.7832970445
RSE43-30-E32.gif_ -115.071873658
G2RC-15-34.gif_ -108.891214786
BHROT27-10-h2s2_cis.gif_ -793.612209374
BH76RC-16-fch3fcomp.gif_ -238.191794228
RSE43-28-P30.gif_ -227.119232927
PNICO23-13-13.gif_ -309.708730944
INV24-19-BN_Corannulene_TS.gif_ -798.572283124
MB16-43-4-BH3.gif_ -26.4622626220
BSR36-21-ch4.gif_ -40.3014337178
BHROT27-20-bithiophene_TS.gif_ -1099.16406603
BHROT27-10-h2s2.gif_ -793.618992746
BUT14DIOL-63-B64.gif_ -307.162740049
BHPERI-17-13_c2h4.gif_ -78.1610327349
PCONF21-7-412.gif_ -965.468612128
BH76-6-h.gif_ -0.497311436764
INV24-19-BN_Corannulene.gif_ -798.573123707
PArel-3-T1.gif_ -451.976236389
PArel-3-T0.gif_ -451.971210506
BSR36-21-r6.gif_ -273.701065778
FH51-25-methylpyridine.gif_ -286.020699531
BH76-74-ch3.gif_ -39.6221953752
BH76-6-hcl.gif_ -458.588221740
W4-11-39-propyne.gif_ -116.019311715
HAL59-21-NH3.gif_ -56.2281289714
G21EA-21-EA_21.gif_ -129.108474348
BSR36-4-c2h6.gif_ -79.4002210864
BSR36-21-c2h6.gif_ -79.4002210864
BH76-18-ch3cl.gif_ -497.686890624
S66-31-31B.gif_ -78.1609260195
BHPERI-26-09r.gif_ -550.179859757
MB16-43-4-4.gif_ -1107.49929838
Amino20x4-23-GLN_xap.gif_ -699.999440738
MCONF-7-1.gif_ -760.779311044
MB16-43-4-F2.gif_ -198.438770218
FH51-25-dimethylpyrrole.gif_ -287.225708660
RG18-1-ne2.gif_ -256.407357549
S66-24-24.gif_ -461.948821526
Amino20x4-23-GLN_xai.gif_ -700.009903246
W4-11-136-o.gif_ -74.6602935932
AHB21-1-1.gif_ -155.468489746
PNICO23-17-17a.gif_ -56.2282409679
ALKBDE10-1-be.gif_ -14.5838411624
PNICO23-17-17b.gif_ -440.088544226
G21EA-25-EA_25n.gif_ -915.937392418
