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	hartrees
Energy at 0K	-514.579688
Energy at 298.15K
HF Energy	-514.579688
Nuclear repulsion energy	50.570368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3301	3271	7.61
2	A₁	1303	1291	3197.40
3	A₁	1213	1202	3.32
4	A₁	421	418	9.48
5	E	3442	3411	40.17
5	E	3442	3411	40.17
6	E	1682	1667	26.83
6	E	1682	1667	26.83
7	E	1362	1350	103.04
7	E	1362	1350	103.04
8	E	340	337	7.88
8	E	340	337	7.88

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.779
Cl2	0.000	0.000	1.132
H3	0.000	0.983	-2.102
H4	0.851	-0.491	-2.102
H5	-0.851	-0.491	-2.102
H6	0.000	0.000	-0.479

	N1	Cl2	H3	H4	H5	H6
N1		2.9102	1.0346	1.0346	1.0346	1.2992
Cl2	2.9102		3.3796	3.3796	3.3796	1.6110
H3	1.0346	3.3796		1.7022	1.7022	1.8969
H4	1.0346	3.3796	1.7022		1.7022	1.8969
H5	1.0346	3.3796	1.7022	1.7022		1.8969
H6	1.2992	1.6110	1.8969	1.8969	1.8969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.701
H3	N1	H5	110.701	H3	N1	H6	108.211
H4	N1	H5	110.701	H4	N1	H6	108.211
H5	N1	H6	108.211

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

using model chemistry: PBEPBE/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	-0.749
2	Cl	-0.552
3	H	0.351
4	H	0.351
5	H	0.351
6	H	0.246

	x	y	z	Total
	0.000	0.000	-8.711	8.711
CHELPG
AIM
ESP

<r²>	71.498
(<r²>)^1/2	8.456

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

using model chemistry: PBEPBE/3-21G

States and conformations

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