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	hartrees
Energy at 0K	-517.192087
Energy at 298.15K
HF Energy	-517.071385
Nuclear repulsion energy	49.540304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3471	3471	0.11
2	A₁	2135	2135	2306.74
3	A₁	1131	1131	106.62
4	A₁	196	196	43.14
5	E	3608	3608	17.48
5	E	3608	3608	17.48
6	E	1646	1646	21.15
6	E	1646	1646	21.15
7	E	848	848	29.03
7	E	848	848	29.03
8	E	249	249	13.88
8	E	249	249	13.88

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.879
Cl2	0.000	0.000	1.182
H3	0.000	0.946	-2.254
H4	0.820	-0.473	-2.254
H5	-0.820	-0.473	-2.254
H6	0.000	0.000	-0.172

	N1	Cl2	H3	H4	H5	H6
N1		3.0610	1.0179	1.0179	1.0179	1.7075
Cl2	3.0610		3.5639	3.5639	3.5639	1.3535
H3	1.0179	3.5639		1.6391	1.6391	2.2874
H4	1.0179	3.5639	1.6391		1.6391	2.2874
H5	1.0179	3.5639	1.6391	1.6391		2.2874
H6	1.7075	1.3535	2.2874	2.2874	2.2874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.244
H3	N1	H5	107.244	H3	N1	H6	111.616
H4	N1	H5	107.244	H4	N1	H6	111.616
H5	N1	H6	111.616

All results from a given calculation for NH₄Cl (Ammonium chloride)

using model chemistry: B2PLYP/daug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-0.829
2	Cl	0.129
3	H	0.173
4	H	0.173
5	H	0.173
6	H	0.183

	x	y	z	Total
	0.000	0.000	-4.797	4.797
CHELPG
AIM
ESP

<r²>	78.286
(<r²>)^1/2	8.848

All results from a given calculation for NH4Cl (Ammonium chloride)

using model chemistry: B2PLYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for NH₄Cl (Ammonium chloride)