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	hartrees
Energy at 0K	-517.430443
Energy at 298.15K
HF Energy	-517.430443
Nuclear repulsion energy	50.127398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3517	3373	1.92
2	A₁	2057	1973	2479.01
3	A₁	1118	1072	105.87
4	A₁	210	202	50.51
5	E	3647	3498	20.37
5	E	3647	3498	20.37
6	E	1666	1598	23.71
6	E	1666	1598	23.71
7	E	894	857	35.62
7	E	894	857	35.62
8	E	262	251	15.74
8	E	262	251	15.74

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.852
Cl2	0.000	0.000	1.164
H3	0.000	0.945	-2.212
H4	0.818	-0.472	-2.212
H5	-0.818	-0.472	-2.212
H6	0.000	0.000	-0.190

	N1	Cl2	H3	H4	H5	H6
N1		3.0156	1.0109	1.0109	1.0109	1.6614
Cl2	3.0156		3.5056	3.5056	3.5056	1.3542
H3	1.0109	3.5056		1.6360	1.6360	2.2314
H4	1.0109	3.5056	1.6360		1.6360	2.2314
H5	1.0109	3.5056	1.6360	1.6360		2.2314
H6	1.6614	1.3542	2.2314	2.2314	2.2314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.029
H3	N1	H5	108.029	H3	N1	H6	110.877
H4	N1	H5	108.029	H4	N1	H6	110.877
H5	N1	H6	110.877

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

using model chemistry: mPW1PW91/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	-0.309
2	Cl	-0.360
3	H	0.152
4	H	0.152
5	H	0.152
6	H	0.212

	x	y	z	Total
	0.000	0.000	-5.115	5.115
CHELPG
AIM
ESP

<r²>	75.876
(<r²>)^1/2	8.711

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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