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	hartrees
Energy at 0K	-517.435645
Energy at 298.15K
HF Energy	-517.435645
Nuclear repulsion energy	49.461680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3525	3525	0.34
2	A₁	2238	2238	2049.55
3	A₁	1100	1100	127.65
4	A₁	179	179	33.17
5	E	3652	3652	19.92
5	E	3652	3652	19.92
6	E	1662	1662	23.67
6	E	1662	1662	23.67
7	E	790	790	31.38
7	E	790	790	31.38
8	E	240	240	15.25
8	E	240	240	15.25

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.899
Cl2	0.000	0.000	1.189
H3	0.000	0.943	-2.262
H4	0.816	-0.471	-2.262
H5	-0.816	-0.471	-2.262
H6	0.000	0.000	-0.141

	N1	Cl2	H3	H4	H5	H6
N1		3.0884	1.0101	1.0101	1.0101	1.7585
Cl2	3.0884		3.5777	3.5777	3.5777	1.3299
H3	1.0101	3.5777		1.6327	1.6327	2.3214
H4	1.0101	3.5777	1.6327		1.6327	2.3214
H5	1.0101	3.5777	1.6327	1.6327		2.3214
H6	1.7585	1.3299	2.3214	2.3214	2.3214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.841
H3	N1	H5	107.841	H3	N1	H6	111.056
H4	N1	H5	107.841	H4	N1	H6	111.056
H5	N1	H6	111.056

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

using model chemistry: B1B95/6-311+G(3df,2p)

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	-0.568
2	Cl	-0.439
3	H	0.201
4	H	0.201
5	H	0.201
6	H	0.404

	x	y	z	Total
	0.000	0.000	-4.551	4.551
CHELPG
AIM
ESP

<r²>	78.991
(<r²>)^1/2	8.888

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

using model chemistry: B1B95/6-311+G(3df,2p)

States and conformations

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