This file gives the conformational comparisons and the reference ab initio
GVB-LMP2/cc-pVTZ(-f) energy differences for 37 comparisons to experiment. The
energy difference is E(Conf 1) - E(Conf 2).
Conf 1 Conf 2 GVB-LMP2
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AM02A AM02B 1.06
AM04B AM04A 2.01
CA01B CA01A 4.58
CA04A CA04B 0.92
CE01B CE01A 5.56
CE02A CE02B 7.84
CE06B CE06A 0.48
CO03B CO03A 0.79
CO05B CO05A 1.07
CJ01A CJ01B 2.54
CJ02A CJ02B 2.45
CJ07A CJ07B 1.87
HL04A HL04B 0.67
HL05B HL05A 1.49
HL09A HL09B 0.21
HL10A HL10B -0.10
KT02A KT02B 1.45
KT04B KT04A 0.85
NH03A NH03B 0.37
NH04B NH04A 0.92
NH07B NH07A 0.82
NH09B NH09A 3.54
OH02A OH02B 0.19
OH04B OH04A 0.34
OH07D OH07C 0.47
OR01B OR01A 1.51
OR02B OR02A 2.14
OR03B OR03A 1.52
OR04B OR04C 0.33
RA04B RA04A 0.72
RA08B RA08A 5.64
RA10B RA10A 1.80
RA12A RA12B -0.02
RA14A RA14B 1.21
RA16C RA16B 0.78
RE03A RE03B 0.30
RE08B RE08A 1.45
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