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	hartrees
Energy at 0K	-517.414113
Energy at 298.15K
HF Energy	-517.414113
Nuclear repulsion energy	49.875046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3414	3365	0.58
2	A₁	1948	1920	2449.01
3	A₁	1100	1084	94.83
4	A₁	219	216	47.08
5	E	3547	3496	13.63
5	E	3547	3496	13.62
6	E	1641	1618	26.53
6	E	1641	1618	26.54
7	E	891	878	51.25
7	E	891	878	51.25
8	E	255	252	15.99
8	E	255	252	15.99

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.859
Cl2	0.000	0.000	1.169
H3	0.000	0.951	-2.220
H4	0.823	-0.475	-2.220
H5	-0.823	-0.475	-2.220
H6	0.000	0.000	-0.199

	N1	Cl2	H3	H4	H5	H6
N1		3.0276	1.0171	1.0171	1.0171	1.6595
Cl2	3.0276		3.5198	3.5198	3.5198	1.3681
H3	1.0171	3.5198		1.6468	1.6468	2.2333
H4	1.0171	3.5198	1.6468		1.6468	2.2333
H5	1.0171	3.5198	1.6468	1.6468		2.2333
H6	1.6595	1.3681	2.2333	2.2333	2.2333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.102
H3	N1	H5	108.102	H3	N1	H6	110.808
H4	N1	H5	108.102	H4	N1	H6	110.808
H5	N1	H6	110.808

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

using model chemistry: B97D3/TZVP

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	-0.593
2	Cl	-0.352
3	H	0.235
4	H	0.235
5	H	0.235
6	H	0.240

	x	y	z	Total
	0.000	0.000	-5.402	5.402
CHELPG
AIM
ESP

<r²>	76.468
(<r²>)^1/2	8.745

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

using model chemistry: B97D3/TZVP

States and conformations

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