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	hartrees
Energy at 0K	-517.380957
Energy at 298.15K
HF Energy	-517.380957
Nuclear repulsion energy	49.251940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3367	3359	0.35
2	A₁	1997	1992	2158.88
3	A₁	1091	1089	96.31
4	A₁	206	205	37.06
5	E	3488	3479	11.40
5	E	3488	3479	11.40
6	E	1627	1623	26.12
6	E	1627	1623	26.12
7	E	848	846	51.70
7	E	848	846	51.70
8	E	254	253	16.16
8	E	254	253	16.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.892
Cl2	0.000	0.000	1.188
H3	0.000	0.955	-2.257
H4	0.827	-0.477	-2.257
H5	-0.827	-0.477	-2.257
H6	0.000	0.000	-0.183

	N1	Cl2	H3	H4	H5	H6
N1		3.0794	1.0225	1.0225	1.0225	1.7085
Cl2	3.0794		3.5748	3.5748	3.5748	1.3709
H3	1.0225	3.5748		1.6541	1.6541	2.2832
H4	1.0225	3.5748	1.6541		1.6541	2.2832
H5	1.0225	3.5748	1.6541	1.6541		2.2832
H6	1.7085	1.3709	2.2832	2.2832	2.2832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.962
H3	N1	H5	107.962	H3	N1	H6	110.941
H4	N1	H5	107.962	H4	N1	H6	110.941
H5	N1	H6	110.941

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

using model chemistry: BLYP/TZVP

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	-0.592
2	Cl	-0.330
3	H	0.231
4	H	0.231
5	H	0.231
6	H	0.231

	x	y	z	Total
	0.000	0.000	-5.262	5.262
CHELPG
AIM
ESP

<r²>	78.784
(<r²>)^1/2	8.876

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

using model chemistry: BLYP/TZVP

States and conformations

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