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This file gives the conformational comparisons and the reference ab initio
"MP4SDQ/TZP" energy differences for 37 comparisons to experiment.  The energy
difference is E(Conf 1) - E(Conf 2).

Conf 1    Conf 2  MP4SDQ/TZP
----------------------------
AM02A     AM02B      1.035
AM04B     AM04A      1.900
CA01B     CA01A      4.794
CA04A     CA04B      0.351
CE01B     CE01A      5.648
CE02A     CE02B      8.214
CE06B     CE06A      0.339
CO03B     CO03A      0.835
CO05B     CO05A      0.985
CJ01A     CJ01B      2.391
CJ02A     CJ02B      2.203
CJ07A     CJ07B      2.027
HL04A     HL04B      0.584
HL05B     HL05A      1.286
HL09A     HL09B      0.031
HL10A     HL10B     -0.031
KT02A     KT02B      1.299
KT04B     KT04A      0.634
NH03A     NH03B      0.502
NH04B     NH04A      0.690
NH07B     NH07A      0.784
NH09B     NH09A      3.583
OH02A     OH02B     -0.056
OH04B     OH04A      0.195
OH07D     OH07C      0.326
OR01B     OR01A      1.406
OR02B     OR02A      2.272
OR03B     OR03A      1.475
OR04B     OR04C     -0.006
RA04B     RA04A      0.653
RA08B     RA08A      6.137
RA10B     RA10A      1.688
RA12A     RA12B      0.044
RA14A     RA14B      1.996
RA16C     RA16B      0.985
RE03A     RE03B      0.257
RE08B     RE08A      1.274
Modified: Wed Nov 25 01:09:00 1998 GMT
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