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	hartrees
Energy at 0K	-517.292077
Energy at 298.15K
HF Energy	-517.292077
Nuclear repulsion energy	50.182461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3490	3339	7.50
2	A₁	1896	1814	2513.87
3	A₁	1184	1133	79.03
4	A₁	248	237	52.43
5	E	3632	3474	20.16
5	E	3632	3474	20.16
6	E	1707	1633	29.79
6	E	1707	1633	29.79
7	E	961	919	82.43
7	E	961	919	82.43
8	E	301	288	18.48
8	E	301	288	18.48

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.838
Cl2	0.000	0.000	1.158
H3	0.000	0.949	-2.203
H4	0.822	-0.475	-2.203
H5	-0.822	-0.475	-2.203
H6	0.000	0.000	-0.217

	N1	Cl2	H3	H4	H5	H6
N1		2.9962	1.0172	1.0172	1.0172	1.6207
Cl2	2.9962		3.4928	3.4928	3.4928	1.3754
H3	1.0172	3.4928		1.6444	1.6444	2.2011
H4	1.0172	3.4928	1.6444		1.6444	2.2011
H5	1.0172	3.4928	1.6444	1.6444		2.2011
H6	1.6207	1.3754	2.2011	2.2011	2.2011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.863
H3	N1	H5	107.863	H3	N1	H6	111.035
H4	N1	H5	107.863	H4	N1	H6	111.035
H5	N1	H6	111.035

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

using model chemistry: B3PW91/6-31G*

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	-0.947
2	Cl	-0.379
3	H	0.361
4	H	0.361
5	H	0.361
6	H	0.243

	x	y	z	Total
	0.000	0.000	-5.877	5.877
CHELPG
AIM
ESP

<r²>	75.077
(<r²>)^1/2	8.665

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

using model chemistry: B3PW91/6-31G*

States and conformations

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