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	hartrees
Energy at 0K	-517.433116
Energy at 298.15K
HF Energy	-517.433116
Nuclear repulsion energy	50.227744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3515	3367	0.93
2	A₁	1999	1915	2633.22
3	A₁	1118	1071	113.24
4	A₁	207	198	58.25
5	E	3644	3491	23.86
5	E	3644	3491	23.86
6	E	1662	1592	23.83
6	E	1662	1592	23.83
7	E	908	870	26.91
7	E	908	870	26.91
8	E	269	258	12.78
8	E	269	258	12.78

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.845
Cl2	0.000	0.000	1.160
H3	0.000	0.945	-2.204
H4	0.819	-0.473	-2.204
H5	-0.819	-0.473	-2.204
H6	0.000	0.000	-0.198

	N1	Cl2	H3	H4	H5	H6
N1		3.0051	1.0110	1.0110	1.0110	1.6465
Cl2	3.0051		3.4942	3.4942	3.4942	1.3586
H3	1.0110	3.4942		1.6371	1.6371	2.2169
H4	1.0110	3.4942	1.6371		1.6371	2.2169
H5	1.0110	3.4942	1.6371	1.6371		2.2169
H6	1.6465	1.3586	2.2169	2.2169	2.2169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.121
H3	N1	H5	108.121	H3	N1	H6	110.790
H4	N1	H5	108.121	H4	N1	H6	110.790
H5	N1	H6	110.790

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

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	-0.043
2	Cl	-0.368
3	H	0.054
4	H	0.054
5	H	0.054
6	H	0.250

	x	y	z	Total
	0.000	0.000	-4.995	4.995
CHELPG
AIM
ESP

<r²>	75.647
(<r²>)^1/2	8.698

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

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