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	hartrees
Energy at 0K	-26.670663
Energy at 298.15K
HF Energy	-26.670663
Nuclear repulsion energy	23.926426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3685	3322	42.07	94.89	0.04	0.08
2	A₁	1903	1715	4394.31	258.86	0.25	0.40
3	A₁	1538	1387	10.61	16.34	0.35	0.52
4	A₁	387	349	207.74	0.34	0.74	0.85
5	E	3843	3464	83.03	42.36	0.75	0.86
5	E	3843	3464	83.03	42.36	0.75	0.86
6	E	1841	1659	10.64	8.49	0.75	0.86
6	E	1841	1659	10.64	8.49	0.75	0.86
7	E	1722	1552	157.28	10.53	0.75	0.86
7	E	1722	1552	157.28	10.53	0.75	0.86
8	E	386	348	4.58	14.06	0.75	0.86
8	E	386	348	4.58	14.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.761
Cl2	0.000	0.000	1.130
H3	0.000	0.957	-2.080
H4	0.829	-0.478	-2.080
H5	-0.829	-0.478	-2.080
H6	0.000	0.000	-0.642

	N1	Cl2	H3	H4	H5	H6
N1		2.8911	1.0086	1.0086	1.0086	1.1187
Cl2	2.8911		3.3496	3.3496	3.3496	1.7724
H3	1.0086	3.3496		1.6573	1.6573	1.7269
H4	1.0086	3.3496	1.6573		1.6573	1.7269
H5	1.0086	3.3496	1.6573	1.6573		1.7269
H6	1.1187	1.7724	1.7269	1.7269	1.7269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.489
H3	N1	H5	110.489	H3	N1	H6	108.434
H4	N1	H5	110.489	H4	N1	H6	108.434
H5	N1	H6	108.434

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

using model chemistry: HF/CEP-31G

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	-0.685
2	Cl	-0.656
3	H	0.369
4	H	0.369
5	H	0.369
6	H	0.234

	x	y	z	Total
	0.000	0.000	-10.480	10.480
CHELPG
AIM
ESP

<r²>	51.626
(<r²>)^1/2	7.185

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

using model chemistry: HF/CEP-31G

States and conformations

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