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	hartrees
Energy at 0K	-517.371078
Energy at 298.15K
HF Energy	-517.371078
Nuclear repulsion energy	50.120337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3492	3370	0.75
2	A₁	1988	1918	2615.76
3	A₁	1111	1072	107.78
4	A₁	207	199	56.85
5	E	3620	3494	22.72
5	E	3620	3494	22.72
6	E	1654	1596	23.48
6	E	1654	1596	23.48
7	E	902	871	26.31
7	E	902	871	26.31
8	E	269	260	12.76
8	E	269	260	12.76

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.849
Cl2	0.000	0.000	1.163
H3	0.000	0.947	-2.209
H4	0.820	-0.473	-2.209
H5	-0.820	-0.473	-2.209
H6	0.000	0.000	-0.198

	N1	Cl2	H3	H4	H5	H6
N1		3.0123	1.0126	1.0126	1.0126	1.6512
Cl2	3.0123		3.5022	3.5022	3.5022	1.3611
H3	1.0126	3.5022		1.6396	1.6396	2.2224
H4	1.0126	3.5022	1.6396		1.6396	2.2224
H5	1.0126	3.5022	1.6396	1.6396		2.2224
H6	1.6512	1.3611	2.2224	2.2224	2.2224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.114
H3	N1	H5	108.114	H3	N1	H6	110.797
H4	N1	H5	108.114	H4	N1	H6	110.797
H5	N1	H6	110.797

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

using model chemistry: B3PW91/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	-0.093
2	Cl	-0.367
3	H	0.071
4	H	0.071
5	H	0.071
6	H	0.248

	x	y	z	Total
	0.000	0.000	-5.002	5.002
CHELPG
AIM
ESP

<r²>	75.944
(<r²>)^1/2	8.715

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

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

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