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	hartrees
Energy at 0K	-511.598268
Energy at 298.15K
HF Energy	-511.598268
Nuclear repulsion energy	51.215236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3591	3591	0.72
2	A₁	2210	2210	3399.70
3	A₁	1326	1326	7.83
4	A₁	449	449	26.15
5	E	3843	3843	8.65
5	E	3843	3843	8.66
6	E	1842	1842	10.65
6	E	1842	1842	10.62
7	E	1281	1281	115.79
7	E	1281	1281	115.72
8	E	368	368	16.98
8	E	368	368	16.99

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.739
Cl2	0.000	0.000	1.112
H3	0.000	0.973	-2.132
H4	0.842	-0.486	-2.132
H5	-0.842	-0.486	-2.132
H6	0.000	0.000	-0.340

	N1	Cl2	H3	H4	H5	H6
N1		2.8506	1.0492	1.0492	1.0492	1.3981
Cl2	2.8506		3.3866	3.3866	3.3866	1.4525
H3	1.0492	3.3866		1.6848	1.6848	2.0384
H4	1.0492	3.3866	1.6848		1.6848	2.0384
H5	1.0492	3.3866	1.6848	1.6848		2.0384
H6	1.3981	1.4525	2.0384	2.0384	2.0384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.813
H3	N1	H5	106.813	H3	N1	H6	112.014
H4	N1	H5	106.813	H4	N1	H6	112.014
H5	N1	H6	112.014

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

using model chemistry: wB97X-D/STO-3G

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	-0.416
2	Cl	-0.475
3	H	0.227
4	H	0.227
5	H	0.227
6	H	0.210

	x	y	z	Total
	0.000	0.000	-7.397	7.397
CHELPG
AIM
ESP

	x	y	z
x	0.823	0.000	0.000
y	0.000	0.823	-0.000
z	0.000	-0.000	2.392

<r²>	68.788
(<r²>)^1/2	8.294

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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