Table 2.

NLO calculated parameters.

	LNAPH		LO−VAN			LNAPH		LO−VAN
	a.u.	esu	a.u.	esu		a.u.	esu	a.u.	esu
${\mathit{\alpha }}_{\mathit{x}\mathit{x}}$	296.817	4.39 10−23	287.735	4.25 10−23	${\mathit{\beta }}_{\mathit{x}\mathit{x}\mathit{x}}$	31.240	2.70 10−28	−1084.909	−9.37 10−27
${\mathit{\alpha }}_{\mathit{x}\mathit{y}}$	4.238	6.27 10−25	−6.090	−9.01 10−25	${\mathit{\beta }}_{\mathit{y}\mathit{y}\mathit{y}}$	−118.841	−1.02 10−27	79.401	6.86 10−28
${\mathit{\alpha }}_{\mathit{y}\mathit{y}}$	193.133	2.85 10−23	170.419	2.52 10−23	${\mathit{\beta }}_{\mathit{z}\mathit{z}\mathit{z}}$	142.375	1.23 10−27	27.677	2.39 10−28
${\mathit{\alpha }}_{\mathit{x}\mathit{z}}$	−15.026	−2.22 10−24	24.955	3.69 10−24	${\mathit{\beta }}_{\mathit{x}\mathit{y}\mathit{y}}$	−61.914	−5.35 10−28	136.6594	−1.18 10−27
${\mathit{\alpha }}_{\mathit{y}\mathit{z}}$	4.226	6.25 10−25	−4.441	−6.57 10−25	${\mathit{\beta }}_{\mathit{x}\mathit{x}\mathit{y}}$	90.195	7.79 10−28	−141.186	−1.22 10−27
${\mathit{\alpha }}_{\mathit{z}\mathit{z}}$	161.745	2.39 10−23	122.892	1.81 10−23	${\mathit{\beta }}_{\mathit{x}\mathit{x}\mathit{z}}$	−53.110	−4.58 10−28	2.259	1.95 10−29
${\Delta }_{\mathit{\alpha }}$	296.817	4.39 10−23	150.688	2.23 10−23	${\mathit{\beta }}_{\mathit{x}\mathit{z}\mathit{z}}$	2.377	2.05 10−29	6.141	5.30 10−29
${\mathit{\mu }}_{\mathit{x}}$	1.240	1.83 10−25	2.157	3.19 10−25	${\mathit{\beta }}_{\mathit{y}\mathit{z}\mathit{z}}$	−0.829	−7.16 10−30	−47.743	−4.12 10−28
${\mathit{\mu }}_{\mathit{y}}$	0.077	1.14 10−26	−0.444	−6.57 10−26	${\mathit{\beta }}_{\mathit{y}\mathit{y}\mathit{z}}$	4.065	3.51 10−29	−2.179	−1.88 10−29
${\mathit{\mu }}_{\mathit{z}}$	0.219	3.24 10−26	−0.838	−1.24 10−25	${\mathit{\beta }}_{\mathit{t}\mathit{o}\mathit{t}\mathit{a}\mathit{l}}$	101.882	8.80 10−28	1220.668	1.05 10−26
${\mathit{\mu }}_{\mathit{g}}$	1.261		2.356