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This file gives the conformational comparisons and the reference ab initio
"MP4SDQ/TZP" energy differences for 147 comparisons to theory.  The energy
difference is E(Conf 1) - E(Conf 2).

Conf 1    Conf 2    MP4SDQ/TZP
-------------------------------
AM02A     AM02B      1.03539
AM04B     AM04A      1.89508
AM07B     AM07A      0.41416
AM09B     AM09A      0.90989
AM10B     AM10A      1.07932
AM10C     AM10A      2.20256
AM10D     AM10A      4.87575
AM10E     AM10A      2.76104
AM10F     AM10A      4.09764
AM13B     AM13A      0.03765
AM14A     AM14D      0.23845
AM14B     AM14D      1.49975
AM14C     AM14D      0.08158
AM15A     AM15C      0.03765
AM15B     AM15C      0.96009
AM15D     AM15C      0.72164
AM16B     AM16A      1.66100
AM17B     AM17A      1.64000
AM17C     AM17A      2.19800
AM17D     AM17A      5.34800
AM17E     AM17A      3.19600
AM17F     AM17A      4.25200
CA01B     CA01A      4.79418
CA02B     CA02A      5.85467
CA03B     CA03A      0.85341
CA04A     CA04B      0.35141
CA05B     CA05A      1.63780
CA07A     CA07B      0.21335
CA08B     CA08A      2.22139
CA08C     CA08A      1.65035
CA09B     CA09A      1.66918
CE01B     CE01A      5.64759
CE02A     CE02B      8.21411
CE05B     CE05A      2.79242
CE06B     CE06A      0.33886
CE07B     CE07A      2.42846
CE08B     CE08A      4.30472
CE10B     CE10A      1.48092
CJ01A     CJ01B      2.39081
CJ02A     CJ02B      2.20256
CJ03A     CJ03B      2.07706
CJ04A     CJ04B      1.04794
CJ05B     CJ05A      0.60868
CJ06A     CJ06B      0.42671
CJ07A     CJ07B      2.02686
CJ08A     CJ08B      3.14383
CJ09B     CJ09A      0.59613
CJ13B     CJ13A      2.42846
CJ13C     CJ13A      1.26757
CO03B     CO03A      0.83459
CO05B     CO05A      0.98519
CO06B     CO06A      0.69026
CO07B     CO07A      0.13805
CO08A     CO08C      0.20080
CO08B     CO08C      0.28865
CO09A     CO09B      0.43298
CO10B     CO10A      0.37023
CO12A     CO12B      0.18198
CO13A     CO13B      0.70281
CO14B     CO14A      5.40286
HL04A     HL04B      0.58358
HL05B     HL05A      1.28640
HL09A     HL09B      0.03138
HL10B     HL10A      0.03138
IM01A     IM01B      2.02686
IM04A     IM04B      1.99579
IM07B     IM07A      1.73193
KT02A     KT02B      1.29895
KT03B     KT03A      2.43474
KT04B     KT04A      0.63379
KT05B     KT05A      2.25276
NC05A     NC05B      0.06903
NC07B     NC07A      0.62123
NH02B     NH02A      0.33258
NH03A     NH03B      0.50201
NH04B     NH04A      0.69026
NH07B     NH07A      0.78439
NH09B     NH09A      3.58308
NH11B     NH11A      0.08158
NH16B     NH16A      0.50201
NH16C     NH16A      0.15060
NH17B     NH17A      0.66516
NH18A     NH18B      1.38680
NH20B     NH20A      1.38052
NH21B     NH21A      1.69428
NH22B     NH22A      0.68399
NH23B     NH23A      0.19453
OH02B     OH02A      0.05647
OH03B     OH03A      0.22590
OH03C     OH03A      0.05020
OH03D     OH03A      0.19453
OH03E     OH03A      0.10040
OH04B     OH04A      0.19453
OH06A     OH06D      1.11069
OH06B     OH06D      1.04794
OH06C     OH06D      1.13579
OH07A     OH07C      0.17570
OH07B     OH07C      1.14207
OH07D     OH07C      0.32631
OH10A     OH10B      1.43072
OH11B     OH11A      1.12952
OH12A     OH12C      1.23619
OH12B     OH12C      1.11069
OH13B     OH13A      0.37651
OH14B     OH14A      0.10040
OH14C     OH14A      0.17570
OH14D     OH14A      0.47691
OH14E     OH14A      0.28865
OH14F     OH14A      0.55848
OH14G     OH14A      0.74674
OH14H     OH14A      0.57103
OH14I     OH14A      1.12952
OH15A     OH15B      2.70457
OH15C     OH15B      0.48946
OH15D     OH15B      1.40562
OR01B     OR01A      1.40562
OR02B     OR02A      2.27159
OR03B     OR03A      1.47465
OR04A     OR04B      2.09588
OR04C     OR04B      0.00628
OR13B     OR13A      1.90763
RA04B     RA04A      0.65261
RA08B     RA08A      6.13705
RA10B     RA10A      1.68800
RA12A     RA12B      0.04393
RA14A     RA14B      1.9973
RA14C     RA14B      1.7091
RA14D     RA14B      2.9691
RA15B     RA15A      0.77184
RA16A     RA16B      1.9652
RA16C     RA16B      0.9853
RA16D     RA16B      3.6454
RE03A     RE03B      0.25728
RE04B     RE04A      0.61496
RE05A     RE05B      0.01883
RE07A     RE07B      0.33258
RE08B     RE08A      1.27385
RE10B     RE10A      1.31150
SR02B     SR02A      0.74046
SR04B     SR04A      0.75929
SR09B     SR09A      0.30120
SR09C     SR09A      1.22992
SR11A     SR11C      0.85969
SR11B     SR11C      1.76958
SR12B     SR12A      0.08785
SR12C     SR12A      0.65889
SR12D     SR12A      0.25100
Modified: Wed Nov 25 01:09:00 1998 GMT
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