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	hartrees
Energy at 0K	-517.127437
Energy at 298.15K
HF Energy	-517.127437
Nuclear repulsion energy	51.410404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3497	3345	16.81
2	A₁	1310	1253	224.26
3	A₁	1046	1000	3857.96
4	A₁	448	429	6.13
5	E	3660	3501	57.81
5	E	3660	3501	57.80
6	E	1724	1649	47.76
6	E	1724	1649	47.77
7	E	1448	1385	101.47
7	E	1448	1385	101.46
8	E	383	366	8.04
8	E	383	366	8.04

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.751
Cl2	0.000	0.000	1.113
H3	0.000	0.968	-2.062
H4	0.838	-0.484	-2.062
H5	-0.838	-0.484	-2.062
H6	0.000	0.000	-0.486

	N1	Cl2	H3	H4	H5	H6
N1		2.8640	1.0164	1.0164	1.0164	1.2647
Cl2	2.8640		3.3193	3.3193	3.3193	1.5993
H3	1.0164	3.3193		1.6760	1.6760	1.8492
H4	1.0164	3.3193	1.6760		1.6760	1.8492
H5	1.0164	3.3193	1.6760	1.6760		1.8492
H6	1.2647	1.5993	1.8492	1.8492	1.8492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	111.067
H3	N1	H5	111.067	H3	N1	H6	107.824
H4	N1	H5	111.067	H4	N1	H6	107.824
H5	N1	H6	107.824

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

using model chemistry: HSEh1PBE/6-31G

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	-0.874
2	Cl	-0.502
3	H	0.385
4	H	0.385
5	H	0.385
6	H	0.222

	x	y	z	Total
	0.000	0.000	-8.615	8.615
CHELPG
AIM
ESP

<r²>	69.726
(<r²>)^1/2	8.350

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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