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	hartrees
Energy at 0K	-516.279987
Energy at 298.15K
HF Energy	-516.279987
Nuclear repulsion energy	47.971535

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	3707	3351	1.39	115.16	0.02	0.03
2	A₁	2822	2552	947.21	379.42	0.32	0.48
3	A₁	1193	1079	242.65	0.88	0.72	0.84
4	A₁	162	147	8.40	0.81	0.27	0.43
5	E	3846	3477	17.32	51.24	0.75	0.86
5	E	3846	3477	17.32	51.24	0.75	0.86
6	E	1798	1626	32.62	5.03	0.75	0.86
6	E	1798	1626	32.62	5.03	0.75	0.86
7	E	666	602	97.83	0.44	0.75	0.86
7	E	666	602	97.83	0.44	0.75	0.86
8	E	235	212	18.60	0.73	0.75	0.86
8	E	235	212	18.60	0.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-2.022
Cl2	0.000	0.000	1.254
H3	0.000	0.937	-2.376
H4	0.811	-0.468	-2.376
H5	-0.811	-0.468	-2.376
H6	0.000	0.000	-0.036

	N1	Cl2	H3	H4	H5	H6
N1		3.2755	1.0014	1.0014	1.0014	1.9857
Cl2	3.2755		3.7485	3.7485	3.7485	1.2897
H3	1.0014	3.7485		1.6223	1.6223	2.5204
H4	1.0014	3.7485	1.6223		1.6223	2.5204
H5	1.0014	3.7485	1.6223	1.6223		2.5204
H6	1.9857	1.2897	2.5204	2.5204	2.5204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.203
H3	N1	H5	108.203	H3	N1	H6	110.712
H4	N1	H5	108.203	H4	N1	H6	110.712
H5	N1	H6	110.712

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

using model chemistry: HF/6-31+G**

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	-0.933
2	Cl	-0.252
3	H	0.316
4	H	0.316
5	H	0.316
6	H	0.238

	x	y	z	Total
	0.000	0.000	-4.342	4.342
CHELPG
AIM
ESP

<r²>	86.639
(<r²>)^1/2	9.308

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

using model chemistry: HF/6-31+G**

States and conformations

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