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	hartrees
Energy at 0K	-517.225338
Energy at 298.15K
HF Energy	-517.225338
Nuclear repulsion energy	50.120548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3510	3373	1.97
2	A₁	2047	1967	2474.47
3	A₁	1114	1071	104.94
4	A₁	214	205	49.44
5	E	3641	3499	21.23
5	E	3641	3499	21.22
6	E	1661	1596	24.07
6	E	1661	1596	24.07
7	E	892	857	35.46
7	E	892	857	35.46
8	E	258	248	15.67
8	E	258	248	15.67

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.851
Cl2	0.000	0.000	1.164
H3	0.000	0.945	-2.212
H4	0.819	-0.473	-2.212
H5	-0.819	-0.473	-2.212
H6	0.000	0.000	-0.192

	N1	Cl2	H3	H4	H5	H6
N1		3.0149	1.0117	1.0117	1.0117	1.6594
Cl2	3.0149		3.5052	3.5052	3.5052	1.3555
H3	1.0117	3.5052		1.6374	1.6374	2.2301
H4	1.0117	3.5052	1.6374		1.6374	2.2301
H5	1.0117	3.5052	1.6374	1.6374		2.2301
H6	1.6594	1.3555	2.2301	2.2301	2.2301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.039
H3	N1	H5	108.039	H3	N1	H6	110.868
H4	N1	H5	108.039	H4	N1	H6	110.868
H5	N1	H6	110.868

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

using model chemistry: HSEh1PBE/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	-0.340
2	Cl	-0.361
3	H	0.163
4	H	0.163
5	H	0.163
6	H	0.212

	x	y	z	Total
	0.000	0.000	-5.130	5.130
CHELPG
AIM
ESP

<r²>	75.889
(<r²>)^1/2	8.711

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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