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	hartrees
Energy at 0K	-514.904571
Energy at 298.15K
HF Energy	-514.904571
Nuclear repulsion energy	51.322572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3415	3276	11.30
2	A₁	1238	1188	3114.52
3	A₁	1191	1142	416.23
4	A₁	407	390	47.21
5	E	3560	3416	35.58
5	E	3560	3416	35.58
6	E	1725	1655	34.02
6	E	1725	1655	34.02
7	E	1303	1250	92.26
7	E	1303	1250	92.26
8	E	367	352	11.70
8	E	367	352	11.70

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.762
Cl2	0.000	0.000	1.114
H3	0.000	0.974	-2.077
H4	0.844	-0.487	-2.077
H5	-0.844	-0.487	-2.077
H6	0.000	0.000	-0.365

	N1	Cl2	H3	H4	H5	H6
N1		2.8757	1.0240	1.0240	1.0240	1.3972
Cl2	2.8757		3.3359	3.3359	3.3359	1.4786
H3	1.0240	3.3359		1.6877	1.6877	1.9697
H4	1.0240	3.3359	1.6877		1.6877	1.9697
H5	1.0240	3.3359	1.6877	1.6877		1.9697
H6	1.3972	1.4786	1.9697	1.9697	1.9697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	111.000
H3	N1	H5	111.000	H3	N1	H6	107.896
H4	N1	H5	111.000	H4	N1	H6	107.896
H5	N1	H6	107.896

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

using model chemistry: B3PW91/3-21G*

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	-0.806
2	Cl	-0.528
3	H	0.349
4	H	0.349
5	H	0.349
6	H	0.288

	x	y	z	Total
	0.000	0.000	-7.437	7.437
CHELPG
AIM
ESP

<r²>	69.906
(<r²>)^1/2	8.361

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

using model chemistry: B3PW91/3-21G*

States and conformations

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