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	hartrees
Energy at 0K	-517.368593
Energy at 298.15K
HF Energy	-517.368593
Nuclear repulsion energy	50.015208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3494	3360	1.81
2	A₁	2045	1966	2459.85
3	A₁	1110	1067	101.51
4	A₁	209	201	49.37
5	E	3624	3485	19.84
5	E	3624	3485	19.84
6	E	1658	1594	23.48
6	E	1658	1594	23.48
7	E	889	855	35.24
7	E	889	855	35.24
8	E	263	252	15.82
8	E	263	252	15.82

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.857
Cl2	0.000	0.000	1.167
H3	0.000	0.946	-2.217
H4	0.819	-0.473	-2.217
H5	-0.819	-0.473	-2.217
H6	0.000	0.000	-0.190

	N1	Cl2	H3	H4	H5	H6
N1		3.0234	1.0125	1.0125	1.0125	1.6666
Cl2	3.0234		3.5138	3.5138	3.5138	1.3568
H3	1.0125	3.5138		1.6388	1.6388	2.2371
H4	1.0125	3.5138	1.6388		1.6388	2.2371
H5	1.0125	3.5138	1.6388	1.6388		2.2371
H6	1.6666	1.3568	2.2371	2.2371	2.2371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.046
H3	N1	H5	108.046	H3	N1	H6	110.862
H4	N1	H5	108.045	H4	N1	H6	110.862
H5	N1	H6	110.862

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

using model chemistry: B3PW91/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	-0.320
2	Cl	-0.359
3	H	0.156
4	H	0.156
5	H	0.156
6	H	0.210

	x	y	z	Total
	0.000	0.000	-5.126	5.126
CHELPG
AIM
ESP

<r²>	76.202
(<r²>)^1/2	8.729

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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