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	hartrees
Energy at 0K	-517.375948
Energy at 298.15K
HF Energy	-517.375948
Nuclear repulsion energy	49.992498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3532	3532	3.86
2	A₁	1963	1963	2429.27
3	A₁	1181	1181	133.57
4	A₁	240	240	49.87
5	E	3659	3659	13.19
5	E	3659	3659	13.23
6	E	1734	1734	37.86
6	E	1734	1734	37.87
7	E	932	932	78.44
7	E	932	932	78.44
8	E	284	284	15.76
8	E	284	284	15.77

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.855
Cl2	0.000	0.000	1.166
H3	0.000	0.947	-2.213
H4	0.820	-0.474	-2.213
H5	-0.820	-0.474	-2.213
H6	0.000	0.000	-0.203

	N1	Cl2	H3	H4	H5	H6
N1		3.0218	1.0128	1.0128	1.0128	1.6521
Cl2	3.0218		3.5102	3.5102	3.5102	1.3697
H3	1.0128	3.5102		1.6408	1.6408	2.2223
H4	1.0128	3.5102	1.6408		1.6408	2.2223
H5	1.0128	3.5102	1.6408	1.6408		2.2223
H6	1.6521	1.3697	2.2223	2.2223	2.2223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.202
H3	N1	H5	108.202	H3	N1	H6	110.713
H4	N1	H5	108.202	H4	N1	H6	110.713
H5	N1	H6	110.713

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

using model chemistry: wB97X-D/6-311G*

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	-1.002
2	Cl	-0.432
3	H	0.373
4	H	0.373
5	H	0.373
6	H	0.314

	x	y	z	Total
	0.000	0.000	-5.741	5.741
CHELPG
AIM
ESP

<r²>	76.385
(<r²>)^1/2	8.740

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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