# Energies for B3LYP using 3-21g
BH76-8-ch3.gif_ -39.6221953752
PA26-25-Gp.gif_ -539.934971152
IDISP-3-octane1.gif_ -314.002428805
IDISP-3-octane2.gif_ -314.007138964
NBPRC-1-bh3.gif_ -26.4622265402
AHB21-15-15B.gif_ -56.2273221494
DC13-13-HCL.gif_ -458.588252842
UPU23-2-1b.gif_ -2300.14997605
AHB21-15-15A.gif_ -396.843685176
W4-11-85-o.gif_ -74.6602935932
RC21-16-7p1.gif_ -228.431300620
BUT14DIOL-42-B1.gif_ -307.176774911
RC21-16-7p2.gif_ -75.9717828332
RC21-5-3e.gif_ -269.764092680
G2RC-16-45.gif_ -915.937425908
AHB21-15-15.gif_ -453.091694003
ISOL24-2-i2e.gif_ -732.495484268
BH76RC-5-hcl.gif_ -458.588221740
S22-8-08.gif_ -80.6029752961
W4-11-31-n.gif_ -54.2954627446
RG18-15-ne.gif_ -128.203678601
W4-11-31-h.gif_ -0.497311436764
BUT14DIOL-29-B30.gif_ -307.164139668
ISOL24-2-i2p.gif_ -732.437587874
ACONF-11-H_g+x-t+.gif_ -235.799531592
SIE4x4-15-h2o+.gif_ -75.5448894732
Amino20x4-68-THR_xaq.gif_ -607.026748795
AHB21-10-10.gif_ -151.321247597
YBDE18-16-ph3.gif_ -341.393023453
YBDE18-16-ph3-ch2.gif_ -380.380407426
BHPERI-8-Ethylene.gif_ -78.1610385659
BH76-47-h.gif_ -0.497311436764
W4-11-2-h.gif_ -0.497311436764
YBDE18-9-cbh22.gif_ -89.6287851820
PNICO23-11-11a.gif_ -433.120978606
PNICO23-11-11b.gif_ -433.120978606
HEAVY28-3-h2s.gif_ -397.412195698
FH51-27-C3H7CONH2.gif_ -286.263648370
MB16-43-14-BH3.gif_ -26.4622626220
RG18-13-ne.gif_ -128.203678601
YBDE18-6-me2s-ch2.gif_ -514.582117848
DARC-11-malein.gif_ -377.179524619
HEAVY28-24-teh2.gif_ -6587.03805314
BSR36-17-c2h6.gif_ -79.4002210864
Amino20x4-25-GLU_xbi.gif_ -719.756132143
G21EA-23-EA_23n.gif_ -414.369172872
W4-11-86-f.gif_ -99.1821673337
W4-11-86-c.gif_ -37.6426964829
BUT14DIOL-38-B39.gif_ -307.163946272
IL16-14-229.gif_ -891.647881346
Amino20x4-46-LYS_xan.gif_ -665.464675067
ACONF-11-H_ttt.gif_ -235.804635522
W4-11-63-o.gif_ -74.6602935932
BH76-50-H2O.gif_ -75.9714043734
W4-11-63-h.gif_ -0.497311436764
Amino20x4-46-LYS_xap.gif_ -665.465051015
W4-11-63-c.gif_ -37.6426964829
BH76-66-RKT17.gif_ -533.254991617
BUT14DIOL-42-B43.gif_ -307.164166869
RC21-5-3p2.gif_ -0.497311436764
RC21-5-3p1.gif_ -269.170775547
PNICO23-13-13a.gif_ -154.848533117
PNICO23-13-13b.gif_ -154.848533117
W4-11-86-fccf.gif_ -274.250162196
S66-8-08B.gif_ -75.9717229985
S66-8-08A.gif_ -115.071324350
W4-11-38-h.gif_ -0.497311436764
AL2X6-5-alme2.gif_ -321.107174135
AL2X6-5-alme3.gif_ -360.229277478
MCONF-11-12.gif_ -760.769103967
HAL59-56-27_CH3Br-benB.gif_ -2601.49593020
S66-42-42.gif_ -608.021960215
HEAVY28-16-sbh3_h2o.gif_ -6366.47956407
BH76RC-5-h.gif_ -0.497311436764
RG18-11-ar.gif_ -525.064101449
AHB21-6-6B.gif_ -99.8629415923
AHB21-6-6A.gif_ -458.057086918
BH76-53-C2H6.gif_ -79.4003634639
G2RC-25-24.gif_ -106.826981333
G2RC-25-23.gif_ -14.9119730839
FH51-26-C4H9NHCONH2.gif_ -380.413484964
FH51-27-C3H7CN.gif_ -210.230592737
PA26-20-si2h6p.gif_ -579.804880371
Amino20x4-6-ARG_xci.gif_ -774.365608607
HAL59-11-F3CI.gif_ -7226.33288359
FH51-27-H2O.gif_ -75.9729554799
BHROT27-21-bithiophene_TS.gif_ -1099.16406603
BHROT27-3-tmethane_60.gif_ -235.802979425
W4-11-2-al.gif_ -241.043835849
RC21-20-9p1.gif_ -192.737069033
RC21-20-9p2.gif_ -112.669951277
CDIE20-20-P60.gif_ -271.237382133
HAL59-32-BrBr_FCCH.gif_ -5299.15667305
RG18-13-c2h2Ne.gif_ -205.110915606
BUT14DIOL-32-B1.gif_ -307.176774911
RC21-6-3e.gif_ -269.764092680
C60ISO-7-8.gif_ -2273.29691547
FH51-40-methyl-d-valerolactone.gif_ -383.006764257
C60ISO-7-1.gif_ -2273.51978001
S66-47-47B.gif_ -230.975661506
S66-47-47A.gif_ -230.975668801
BHROT27-11-n2h4_ecl1.gif_ -111.224531550
IL16-11-214.gif_ -930.755003894
BUT14DIOL-38-B1.gif_ -307.176774911
PArel-13-aminocoohbz2.gif_ -473.899075863
PArel-13-aminocoohbz1.gif_ -473.899455693
MB16-43-14-AlH3.gif_ -242.862242825
ISO34-21-P21.gif_ -286.017908709
IL16-11-214A.gif_ -173.913891487
IL16-11-214B.gif_ -756.651214775
HAL59-28-PCH.gif_ -378.052344022
BH76-36-c3h7ts.gif_ -117.780092668
YBDE18-6-ch2.gif_ -38.9359674017
CDIE20-18-R56.gif_ -271.244661926
BH76-50-NH2.gif_ -55.5557059487
MCONF-20-1.gif_ -760.779311044
C60ISO-9-10.gif_ -2273.25511988
S22-3-03a.gif_ -188.693965904
UPU23-15-4b.gif_ -2300.15194591
ICONF-16-H4P2O7_3.gif_ -1205.29719257
HAL59-11-NCH_F3CI.gif_ -7319.24833754
HAL59-28-FI.gif_ -6989.80274237
W4-11-106-c.gif_ -37.6426964829
Amino20x4-68-THR_xal.gif_ -607.017595076
PNICO23-21-21a.gif_ -56.2280888051
CHB6-2-23.gif_ -237.115115393
W4-11-129-s.gif_ -396.162245912
W4-11-102-h.gif_ -0.497311436764
DC13-10-ISO_C8H8_1.gif_ -307.949461246
W4-11-102-n.gif_ -54.2954627446
W4-11-102-o.gif_ -74.6602935932
FH51-40-hexandione.gif_ -382.992014166
ISO34-21-E21.gif_ -286.020490483
S22-11-11.gif_ -461.947946684
YBDE18-8-nf3-ch2.gif_ -391.155854367
RC21-8-3int3.gif_ -269.742772241
DC13-13-CL2.gif_ -915.928300039
W4-11-58-becl2.gif_ -930.817150236
PX13-8-h2o_6.gif_ -456.024356759
G21IP-31-37.gif_ -149.471923690
HAL59-56-27_CH3Br-benA.gif_ -230.975654337
BH76-53-oh.gif_ -75.3013299602
BHPERI-25-00r.gif_ -78.1610329523
S66-8-08.gif_ -191.064415479
CDIE20-1-P20.gif_ -192.943066643
YBDE18-6-me2s.gif_ -475.616331417
G21EA-20-EA_20n.gif_ -149.471904701
G2RC-16-8.gif_ -40.3015383697
RSE43-40-E42.gif_ -282.837430269
RC21-6-3int1.gif_ -269.704034203
CDIE20-18-P56.gif_ -271.234913060
RG18-11-hfAr.gif_ -624.925929429
PA26-25-G.gif_ -539.534007768
W4-11-77-oxirene.gif_ -151.609412187
UPU23-9-2p.gif_ -2300.15681535
HAL59-16-PCH.gif_ -378.052344022
INV24-14-Pentahelicene.gif_ -842.141691721
S66-61-61.gif_ -424.518440225
ACONF-14-H_ttt.gif_ -235.804635522
G21IP-6-n+.gif_ -53.7623277210
BH76-66-cl.gif_ -457.945732517
PNICO23-21-21.gif_ -489.365754678
BHROT27-14-nh2oh_st2.gif_ -130.953346935
TAUT15-5-3d.gif_ -324.102619966
S22-8-08a.gif_ -40.3015400082
TAUT15-5-3a.gif_ -324.127867034
G21IP-31-IP_75.gif_ -148.983820933
WCPT18-18-reac9.gif_ -474.380893668
YBDE18-16-ch2.gif_ -38.9359674017
RG18-15-c2h6Ne.gif_ -207.605664544
HAL59-16-PCH_NBS.gif_ -3296.66217460
RG18-15-c2h6.gif_ -79.4003977568
BSR36-17-r2.gif_ -234.606304242
BSR36-22-c2h6.gif_ -79.4002210864
BSR36-22-r7.gif_ -273.698970255
W4-11-73-hnc.gif_ -92.8825878652
BH76-47-H2.gif_ -1.17059808311
INV24-15-Hexahelicene.gif_ -994.929928875
HEAVY28-24-h2s.gif_ -397.412195698
WATER27-2-H2O.gif_ -75.9719479403
YBDE18-13-pf3.gif_ -637.554149846
G21EA-20-EA_20.gif_ -149.441571956
WCPT18-9-reac9.gif_ -474.380893668
G2RC-16-22.gif_ -458.588560976
W4-11-95-sio.gif_ -362.779759173
W4-11-31-nh2.gif_ -55.5557679420
BHROT27-14-nh2oh_ecl.gif_ -130.949974307
WCPT18-18-h2o.gif_ -75.9720565053
HAL59-7-PhI.gif_ -7120.93793051
W4-11-7-ch2-trip.gif_ -38.9360193870
S22-11-11a.gif_ -230.975644032
BSR36-17-ch4.gif_ -40.3014337178
W4-11-95-si.gif_ -287.866879617
RSE43-40-P42.gif_ -282.217172590
BH76-37-hcn.gif_ -92.9074797059
UPU23-4-2p.gif_ -2300.15681535
HEAVY28-3-bih3_h2s.gif_
MCONF-20-21.gif_ -760.775346270
C60ISO-9-1.gif_ -2273.51978001
DARC-11-P9.gif_ -570.272890428
RG18-13-c2h2.gif_ -76.9071649212
HAL59-11-NCH.gif_ -92.9068722342
INV24-1-H2O_TS.gif_ -75.9202794585
RC21-8-3e.gif_ -269.764092680
BHPERI-2-TS2.gif_ -232.074718182
BH76-8-hf.gif_ -99.8602529869
FH51-48-3-methylpentane.gif_ -235.804683330
MB16-43-14-O2.gif_ -149.474204292
W4-11-95-o.gif_ -74.6602935932
Amino20x4-6-ARG_xbv.gif_ -774.351659041
PNICO23-7-7.gif_ -832.381568366
WCPT18-6-ts6.gif_ -117.118965855
NBPRC-1-nh3-bh3.gif_ -82.7653967356
S22-3-3.gif_ -377.440870270
MB16-43-14-SiH4.gif_ -290.345633307
WATER27-17-H3OpH2O3.gif_ -304.402815545
PX13-8-h2o_6_ts.gif_ -456.058144823
MB16-43-14-H2.gif_ -1.17060603781
DC13-13-C6Cl6.gif_ -2975.27032412
DARC-11-cpdiene.gif_ -193.036962091
W4-11-73-c.gif_ -37.6426964829
W4-11-73-n.gif_ -54.2954627446
W4-11-73-h.gif_ -0.497311436764
BHPERI-25-07r.gif_ -494.154263325
G2RC-24-25.gif_ -76.9070759118
W4-11-58-cl.gif_ -457.945732517
W4-11-85-co2.gif_ -187.522080960
HAL59-28-FI_PCH.gif_ -7367.85786537
W4-11-106-cs.gif_ -434.022679303
BH76-66-oh.gif_ -75.3013299602
AHB21-6-6.gif_ -557.961295667
BHROT27-3-tmethane_120.gif_ -235.797085468
CDIE20-1-R20.gif_ -192.937881903
HAL59-16-NBS.gif_ -2918.60707696
RC21-20-9e.gif_ -305.473596405
FH51-26-NH3.gif_ -56.2284019492
FH51-48-dimethylbutane.gif_ -235.804996149
WCPT18-18-ts9h2o.gif_ -550.351588097
G21EA-23-EA_23.gif_ -414.387589477
BHPERI-25-08ts.gif_ -572.286372641
BHPERI-2-cis-1,3,5-Hexatriene.gif_ -232.119180484
AHB21-10-10A.gif_ -75.2403823637
AHB21-10-10B.gif_ -75.9643108795
PCONF21-3-99.gif_ -965.473719803
RC21-16-7e.gif_ -304.431513543
S66-47-47.gif_ -461.953160480
WCPT18-9-ts9.gif_ -474.290853971
S66-17-17.gif_ -825.090463609
INV24-15-Hexahelicene_TS.gif_ -994.869548961
WATER27-17-H2O.gif_ -75.9719479403
PNICO23-7-7a.gif_ -416.187159704
PNICO23-7-7b.gif_ -416.187159704
G2RC-24-94.gif_ -230.975537053
DC13-10-ISO_C8H8_41.gif_ -307.783755946
W4-11-30-hcl.gif_ -458.588273395
HAL59-7-PCH_PhI.gif_ -7498.99203691
ISOL24-4-i4e.gif_ -1241.73874160
S66-17-17A.gif_ -412.522154270
G21IP-15-cl.gif_ -457.945732517
HEAVY28-3-bih3.gif_
S66-17-17B.gif_ -412.522331521
ISOL24-4-i4p.gif_ -1241.63810388
G21IP-6-n.gif_ -54.2954627446
CDIE20-20-R60.gif_ -271.250425950
G21EA-17-EA_17.gif_ -340.165096061
ISOL24-20-i20e.gif_ -736.355614658
G21EA-17-EA_17n.gif_ -340.153440430
W4-11-106-s.gif_ -396.162245912
ISOL24-20-i20p.gif_ -736.348168981
W4-11-77-c.gif_ -37.6426964829
G21IP-15-cl+.gif_ -457.465815041
W4-11-38-o.gif_ -74.6602935932
W4-11-77-h.gif_ -0.497311436764
DIPCS10-2-c2h6_2+.gif_ -78.3100974093
W4-11-77-o.gif_ -74.6602935932
PNICO23-13-13.gif_ -309.708730944
NBPRC-1-nh3.gif_ -56.2279486138
S66-25-25A.gif_ -246.912814082
MB16-43-14-LiH.gif_ -8.02850368960
YBDE18-8-ch2.gif_ -38.9359674017
PCONF21-3-366.gif_ -965.471456861
RG18-11-hf.gif_ -99.8602921540
MB16-43-14-Cl2.gif_ -915.932663582
W4-11-102-c-hono.gif_ -204.527785864
WCPT18-6-reac6.gif_ -117.267042533
BH76-50-RKT07.gif_ -131.546085386
W4-11-85-c.gif_ -37.6426964829
S66-42-42A.gif_ -412.522941518
S66-42-42B.gif_ -195.495380781
PA26-20-si2h6.gif_ -579.516143459
MCONF-30-31.gif_ -760.771353056
SIE4x4-15-h2o.gif_ -75.9715905726
MCONF-11-1.gif_ -760.779311044
BUT14DIOL-39-B40.gif_ -307.163234519
HEAVY28-16-h2o.gif_ -75.9715248292
BUT14DIOL-39-B1.gif_ -307.176774911
ACONF-14-H_x+g-g-.gif_ -235.798257863
HAL59-32-FCCH.gif_ -175.584009883
S66-61-61B.gif_ -227.809703694
S66-61-61A.gif_ -196.703538579
BUT14DIOL-43-B44.gif_ -307.165474169
INV24-1-H2O.gif_ -75.9719820461
SCONF-16-G1.gif_ -683.356732925
HAL59-56-27_CH3Br-benAB.gif_ -2832.47124342
W4-11-129-s4-c2v.gif_ -1584.82657833
HAL59-32-BrBr.gif_ -5123.57036647
FH51-26-C4H9NCO.gif_ -324.142835669
BHROT27-21-bithiophene_syn.gif_ -1099.16712329
UPU23-4-1g.gif_ -2300.15622303
UPU23-2-2p.gif_ -2300.15681535
WATER27-17-H3Op.gif_ -76.2756238962
BUT14DIOL-43-B1.gif_ -307.176774911
Amino20x4-4-ALA_xab.gif_ -493.118499888
RSE43-14-E16.gif_ -247.155348304
AL2X6-5-al2me5.gif_ -681.369691435
BUT14DIOL-32-B33.gif_ -307.162155632
BUT14DIOL-53-B1.gif_ -307.176774911
BH76-8-hfch3ts.gif_ -139.442461245
BSR36-22-ch4.gif_ -40.3014337178
TAUT15-13-8b.gif_ -264.064895988
BH76RC-5-hclhts.gif_ -459.064289968
BHPERI-8-1,3-Cyclopentadiene.gif_ -193.037923625
IL16-14-229A.gif_ -134.810792285
UPU23-9-7a.gif_ -2300.15006971
Amino20x4-41-LEU_xad.gif_ -610.437832847
Amino20x4-41-LEU_xap.gif_ -610.437897959
BUT14DIOL-29-B1.gif_ -307.176774911
S66-25-25.gif_ -493.825300282
SIE4x4-15-h2o2+_1.5.gif_ -151.591658266
BUT14DIOL-2-B1.gif_ -307.176774911
BUT14DIOL-2-B3.gif_ -307.174432801
MCONF-30-1.gif_ -760.779311044
BHPERI-8-TS8.gif_ -271.177692767
HEAVY28-16-sbh3.gif_ -6290.50474371
Amino20x4-39-ILE_xae.gif_ -610.436402854
Amino20x4-15-ASP_xaz.gif_ -680.657385561
S66-25-25B.gif_ -246.912813504
Amino20x4-15-ASP_xau.gif_ -680.651635130
UPU23-15-2p.gif_ -2300.15681535
BH76-53-RKT09.gif_ -154.704161391
Amino20x4-4-ALA_xag.gif_ -493.129282235
BH76-47-RKT06.gif_ -1.66222237659
WCPT18-8-reac8.gif_ -490.325179672
YBDE18-9-nh3.gif_ -56.2279402797
WATER27-2-H2O3.gif_ -227.985988060
Amino20x4-25-GLU_xav.gif_ -719.752320184
YBDE18-8-nf3.gif_ -352.134551343
RSE43-14-P16.gif_ -246.491102503
S66-28-28A.gif_ -230.975649723
S66-28-28B.gif_ -412.522783192
W4-11-30-h.gif_ -0.497311436764
W4-11-63-ketene.gif_ -151.757989481
G2RC-25-39.gif_ -198.437742071
ICONF-16-H4P2O7_1.gif_ -1205.29640150
INV24-14-Pentahelicene_TS.gif_ -842.100799704
G2RC-16-97.gif_ -955.070787363
YBDE18-9-nh3-cbh22.gif_ -145.920052419
W4-11-58-be.gif_ -14.5838411624
W4-11-7-h.gif_ -0.497311436764
HEAVY28-24-teh2_h2s.gif_ -6984.44956159
WCPT18-8-ts8.gif_ -490.292719230
W4-11-7-c.gif_ -37.6426964829
Amino20x4-39-ILE_xag.gif_ -610.433227518
S66-28-28.gif_ -643.500064213
BH76-37-hcnts.gif_ -92.8048563957
BHROT27-11-n2h4_st1.gif_ -111.226385695
W4-11-2-alh3.gif_ -242.862077729
DC13-13-C6H6.gif_ -230.974686444
BUT14DIOL-53-B54.gif_ -307.160558961
CHB6-2-23B.gif_ -75.9723013544
CHB6-2-23A.gif_ -161.072720961
MB16-43-14-14.gif_ -1364.77790827
SCONF-16-G3.gif_ -683.374105204
W4-11-38-oh.gif_ -75.3014646921
PNICO23-11-11.gif_ -866.246281567
W4-11-30-cl.gif_ -457.945732517
PNICO23-21-21b.gif_ -433.121089155
YBDE18-13-cbh22.gif_ -89.6287851820
IL16-14-229B.gif_ -756.643992448
TAUT15-13-8a.gif_ -264.064701413
YBDE18-13-pf3-cbh22.gif_ -727.224325682
HAL59-7-PCH.gif_ -378.052344022
BH76-36-c3h7.gif_ -117.828651493
DIPCS10-2-c2h6.gif_ -79.4005682035
