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	hartrees
Energy at 0K	-514.653820
Energy at 298.15K
HF Energy	-514.653820
Nuclear repulsion energy	50.997819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3417	3292	17.51
2	A₁	1305	1258	1087.35
3	A₁	1244	1198	2620.48
4	A₁	434	418	35.42
5	E	3555	3425	60.71
5	E	3555	3425	60.70
6	E	1729	1666	30.19
6	E	1729	1666	30.19
7	E	1454	1400	120.52
7	E	1454	1400	120.51
8	E	362	349	6.43
8	E	362	349	6.43

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.763
Cl2	0.000	0.000	1.123
H3	0.000	0.975	-2.079
H4	0.844	-0.487	-2.079
H5	-0.844	-0.487	-2.079
H6	0.000	0.000	-0.505

	N1	Cl2	H3	H4	H5	H6
N1		2.8858	1.0248	1.0248	1.0248	1.2585
Cl2	2.8858		3.3471	3.3471	3.3471	1.6273
H3	1.0248	3.3471		1.6884	1.6884	1.8520
H4	1.0248	3.3471	1.6884		1.6884	1.8520
H5	1.0248	3.3471	1.6884	1.6884		1.8520
H6	1.2585	1.6273	1.8520	1.8520	1.8520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.928
H3	N1	H5	110.928	H3	N1	H6	107.972
H4	N1	H5	110.928	H4	N1	H6	107.972
H5	N1	H6	107.972

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

using model chemistry: HSEh1PBE/3-21G

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	-0.811
2	Cl	-0.588
3	H	0.371
4	H	0.371
5	H	0.371
6	H	0.286

	x	y	z	Total
	0.000	0.000	-9.032	9.032
CHELPG
AIM
ESP

<r²>	70.488
(<r²>)^1/2	8.396

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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