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	hartrees
Energy at 0K	-517.195983
Energy at 298.15K
HF Energy	-517.195983
Nuclear repulsion energy	50.460630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3525	3382	4.89
2	A₁	1745	1674	2845.92
3	A₁	1186	1139	75.45
4	A₁	244	234	77.24
5	E	3654	3506	17.50
5	E	3654	3506	17.49
6	E	1731	1661	37.63
6	E	1731	1661	37.63
7	E	1009	968	68.31
7	E	1009	968	68.31
8	E	308	296	16.13
8	E	308	296	16.13

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.823
Cl2	0.000	0.000	1.150
H3	0.000	0.947	-2.181
H4	0.821	-0.474	-2.181
H5	-0.821	-0.474	-2.181
H6	0.000	0.000	-0.240

	N1	Cl2	H3	H4	H5	H6
N1		2.9733	1.0127	1.0127	1.0127	1.5837
Cl2	2.9733		3.4630	3.4630	3.4630	1.3896
H3	1.0127	3.4630		1.6411	1.6411	2.1601
H4	1.0127	3.4630	1.6411		1.6411	2.1601
H5	1.0127	3.4630	1.6411	1.6411		2.1601
H6	1.5837	1.3896	2.1601	2.1601	2.1601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.245
H3	N1	H5	108.245	H3	N1	H6	110.671
H4	N1	H5	108.245	H4	N1	H6	110.671
H5	N1	H6	110.671

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

using model chemistry: HSEh1PBE/6-311G*

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	-1.003
2	Cl	-0.459
3	H	0.379
4	H	0.379
5	H	0.379
6	H	0.324

	x	y	z	Total
	0.000	0.000	-6.040	6.040
CHELPG
AIM
ESP

<r²>	74.539
(<r²>)^1/2	8.634

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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