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	hartrees
Energy at 0K	-517.392526
Energy at 298.15K
HF Energy	-517.392526
Nuclear repulsion energy	49.571186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3519	3360	1.69
2	A₁	2112	2017	2191.75
3	A₁	1117	1067	161.62
4	A₁	194	185	41.31
5	E	3650	3486	17.77
5	E	3650	3486	17.82
6	E	1669	1594	29.33
6	E	1669	1594	29.36
7	E	838	800	67.35
7	E	838	800	67.34
8	E	246	235	16.04
8	E	246	235	16.05

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.887
Cl2	0.000	0.000	1.183
H3	0.000	0.947	-2.245
H4	0.820	-0.473	-2.245
H5	-0.820	-0.473	-2.245
H6	0.000	0.000	-0.164

	N1	Cl2	H3	H4	H5	H6
N1		3.0698	1.0122	1.0122	1.0122	1.7227
Cl2	3.0698		3.5563	3.5563	3.5563	1.3471
H3	1.0122	3.5563		1.6399	1.6399	2.2860
H4	1.0122	3.5563	1.6399		1.6399	2.2860
H5	1.0122	3.5563	1.6399	1.6399		2.2860
H6	1.7227	1.3471	2.2860	2.2860	2.2860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.197
H3	N1	H5	108.197	H3	N1	H6	110.717
H4	N1	H5	108.197	H4	N1	H6	110.717
H5	N1	H6	110.717

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

using model chemistry: wB97X-D/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	-0.646
2	Cl	-0.330
3	H	0.242
4	H	0.242
5	H	0.242
6	H	0.251

	x	y	z	Total
	0.000	0.000	-5.152	5.152
CHELPG
AIM
ESP

<r²>	78.074
(<r²>)^1/2	8.836

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

using model chemistry: wB97X-D/TZVP

States and conformations

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