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	hartrees
Energy at 0K	-26.704975
Energy at 298.15K
HF Energy	-26.704975
Nuclear repulsion energy	22.275502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3685	3329	1.73	106.13	0.04	0.08
2	A₁	2777	2509	862.28	374.46	0.36	0.53
3	A₁	1273	1150	194.40	0.35	0.75	0.86
4	A₁	162	146	7.84	0.54	0.40	0.57
5	E	3810	3442	5.28	61.45	0.75	0.86
5	E	3810	3442	5.28	61.45	0.75	0.86
6	E	1848	1669	32.61	7.15	0.75	0.86
6	E	1848	1669	32.61	7.15	0.75	0.86
7	E	656	593	102.26	1.66	0.75	0.86
7	E	656	593	102.26	1.66	0.75	0.86
8	E	222	201	18.32	2.05	0.75	0.86
8	E	222	201	18.32	2.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-2.025
Cl2	0.000	0.000	1.259
H3	0.000	0.934	-2.397
H4	0.808	-0.467	-2.397
H5	-0.808	-0.467	-2.397
H6	0.000	0.000	-0.040

	N1	Cl2	H3	H4	H5	H6
N1		3.2843	1.0048	1.0048	1.0048	1.9849
Cl2	3.2843		3.7734	3.7734	3.7734	1.2994
H3	1.0048	3.7734		1.6169	1.6169	2.5349
H4	1.0048	3.7734	1.6169		1.6169	2.5349
H5	1.0048	3.7734	1.6169	1.6169		2.5349
H6	1.9849	1.2994	2.5349	2.5349	2.5349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.132
H3	N1	H5	107.132	H3	N1	H6	111.720
H4	N1	H5	107.132	H4	N1	H6	111.720
H5	N1	H6	111.720

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

using model chemistry: HF/CEP-121G*

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	-1.033
2	Cl	-0.369
3	H	0.355
4	H	0.355
5	H	0.355
6	H	0.336

	x	y	z	Total
	0.000	0.000	-4.477	4.477
CHELPG
AIM
ESP

<r²>	62.571
(<r²>)^1/2	7.910

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

using model chemistry: HF/CEP-121G*

States and conformations

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