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	hartrees
Energy at 0K	-517.342925
Energy at 298.15K
HF Energy	-517.342925
Nuclear repulsion energy	51.418697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3502	3340	17.07
2	A₁	1307	1247	222.49
3	A₁	981	936	3967.87
4	A₁	447	426	0.05
5	E	3666	3496	56.20
5	E	3666	3496	56.20
6	E	1724	1644	47.84
6	E	1724	1644	47.84
7	E	1441	1375	104.24
7	E	1441	1375	104.24
8	E	388	370	7.81
8	E	388	370	7.81

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.752
Cl2	0.000	0.000	1.114
H3	0.000	0.966	-2.062
H4	0.837	-0.483	-2.062
H5	-0.837	-0.483	-2.062
H6	0.000	0.000	-0.481

	N1	Cl2	H3	H4	H5	H6
N1		2.8653	1.0150	1.0150	1.0150	1.2711
Cl2	2.8653		3.3196	3.3196	3.3196	1.5942
H3	1.0150	3.3196		1.6736	1.6736	1.8535
H4	1.0150	3.3196	1.6736		1.6736	1.8535
H5	1.0150	3.3196	1.6736	1.6736		1.8535
H6	1.2711	1.5942	1.8535	1.8535	1.8535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	111.069
H3	N1	H5	111.069	H3	N1	H6	107.821
H4	N1	H5	111.069	H4	N1	H6	107.821
H5	N1	H6	107.821

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

using model chemistry: B1B95/6-31G

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	-0.863
2	Cl	-0.501
3	H	0.379
4	H	0.379
5	H	0.379
6	H	0.226

	x	y	z	Total
	0.000	0.000	-8.567	8.567
CHELPG
AIM
ESP

<r²>	69.714
(<r²>)^1/2	8.350

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

using model chemistry: B1B95/6-31G

States and conformations

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