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	hartrees
Energy at 0K	-517.375412
Energy at 298.15K
HF Energy	-517.375412
Nuclear repulsion energy	50.323721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3530	3360	2.62
2	A₁	1982	1887	2681.13
3	A₁	1149	1093	144.62
4	A₁	219	208	61.60
5	E	3676	3499	29.36
5	E	3676	3499	29.36
6	E	1676	1596	34.45
6	E	1676	1596	34.45
7	E	956	910	65.41
7	E	956	910	65.41
8	E	301	287	15.86
8	E	301	287	15.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.837
Cl2	0.000	0.000	1.156
H3	0.000	0.949	-2.194
H4	0.822	-0.474	-2.194
H5	-0.822	-0.474	-2.194
H6	0.000	0.000	-0.207

	N1	Cl2	H3	H4	H5	H6
N1		2.9921	1.0137	1.0137	1.0137	1.6295
Cl2	2.9921		3.4812	3.4812	3.4812	1.3626
H3	1.0137	3.4812		1.6430	1.6430	2.2017
H4	1.0137	3.4812	1.6430		1.6430	2.2017
H5	1.0137	3.4812	1.6430	1.6430		2.2017
H6	1.6295	1.3626	2.2017	2.2017	2.2017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.274
H3	N1	H5	108.274	H3	N1	H6	110.644
H4	N1	H5	108.274	H4	N1	H6	110.644
H5	N1	H6	110.644

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.934
2	Cl	-0.314
3	H	0.344
4	H	0.344
5	H	0.344
6	H	0.217

	x	y	z	Total
	0.000	0.000	-5.493	5.493
CHELPG
AIM
ESP

<r²>	75.223
(<r²>)^1/2	8.673

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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