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	hartrees
Energy at 0K	-27.236902
Energy at 298.15K
HF Energy	-27.236902
Nuclear repulsion energy	23.710747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3421	3333	3.98
2	A₁	1272	1239	216.26
3	A₁	996	970	3921.95
4	A₁	443	432	0.30
5	E	3585	3493	27.52
5	E	3585	3493	27.50
6	E	1706	1663	41.02
6	E	1706	1663	41.01
7	E	1392	1356	80.10
7	E	1392	1356	80.09
8	E	342	333	5.83
8	E	341	333	5.83

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.760
Cl2	0.000	0.000	1.120
H3	0.000	0.970	-2.077
H4	0.840	-0.485	-2.077
H5	-0.840	-0.485	-2.077
H6	0.000	0.000	-0.483

	N1	Cl2	H3	H4	H5	H6
N1		2.8800	1.0209	1.0209	1.0209	1.2770
Cl2	2.8800		3.3409	3.3409	3.3409	1.6030
H3	1.0209	3.3409		1.6808	1.6808	1.8661
H4	1.0209	3.3409	1.6808		1.6808	1.8661
H5	1.0209	3.3409	1.6808	1.6808		1.8661
H6	1.2770	1.6030	1.8661	1.8661	1.8661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.821
H3	N1	H5	110.821	H3	N1	H6	108.085
H4	N1	H5	110.821	H4	N1	H6	108.085
H5	N1	H6	108.085

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

using model chemistry: B3LYP/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	-0.749
2	Cl	-0.488
3	H	0.353
4	H	0.353
5	H	0.353
6	H	0.178

	x	y	z	Total
	0.000	0.000	-8.358	8.358
CHELPG
AIM
ESP

<r²>	51.483
(<r²>)^1/2	7.175

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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