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	hartrees
Energy at 0K	-517.417721
Energy at 298.15K
HF Energy	-517.417721
Nuclear repulsion energy	50.147773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3516	3354	2.60
2	A₁	2018	1925	2561.52
3	A₁	1129	1077	133.13
4	A₁	214	204	54.48
5	E	3648	3480	21.49
5	E	3648	3480	21.49
6	E	1669	1592	29.56
6	E	1669	1592	29.56
7	E	918	876	57.17
7	E	918	876	57.17
8	E	272	260	16.93
8	E	272	260	16.93

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.848
Cl2	0.000	0.000	1.162
H3	0.000	0.947	-2.206
H4	0.820	-0.473	-2.206
H5	-0.820	-0.473	-2.206
H6	0.000	0.000	-0.200

	N1	Cl2	H3	H4	H5	H6
N1		3.0104	1.0120	1.0120	1.0120	1.6483
Cl2	3.0104		3.4989	3.4989	3.4989	1.3621
H3	1.0120	3.4989		1.6395	1.6395	2.2184
H4	1.0120	3.4989	1.6395		1.6395	2.2184
H5	1.0120	3.4989	1.6395	1.6395		2.2184
H6	1.6483	1.3621	2.2184	2.2184	2.2184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.199
H3	N1	H5	108.199	H3	N1	H6	110.715
H4	N1	H5	108.199	H4	N1	H6	110.715
H5	N1	H6	110.715

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

using model chemistry: mPW1PW91/TZVP

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	-0.621
2	Cl	-0.361
3	H	0.241
4	H	0.241
5	H	0.241
6	H	0.258

	x	y	z	Total
	0.000	0.000	-5.411	5.411
CHELPG
AIM
ESP

<r²>	75.725
(<r²>)^1/2	8.702

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

using model chemistry: mPW1PW91/TZVP

States and conformations

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