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	hartrees
Energy at 0K	-511.558089
Energy at 298.15K
HF Energy	-511.558089
Nuclear repulsion energy	51.167817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3564	3154	0.35
2	A₁	2302	2037	3245.66
3	A₁	1319	1167	10.02
4	A₁	457	405	19.27
5	E	3819	3379	8.53
5	E	3819	3379	8.52
6	E	1835	1624	10.15
6	E	1835	1624	10.15
7	E	1312	1161	109.08
7	E	1312	1161	109.08
8	E	390	345	20.31
8	E	390	345	20.31

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.739
Cl2	0.000	0.000	1.113
H3	0.000	0.973	-2.134
H4	0.843	-0.486	-2.134
H5	-0.843	-0.486	-2.134
H6	0.000	0.000	-0.345

	N1	Cl2	H3	H4	H5	H6
N1		2.8522	1.0502	1.0502	1.0502	1.3937
Cl2	2.8522		3.3901	3.3901	3.3901	1.4586
H3	1.0502	3.3901		1.6853	1.6853	2.0364
H4	1.0502	3.3901	1.6853		1.6853	2.0364
H5	1.0502	3.3901	1.6853	1.6853		2.0364
H6	1.3937	1.4586	2.0364	2.0364	2.0364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.710
H3	N1	H5	106.710	H3	N1	H6	112.108
H4	N1	H5	106.710	H4	N1	H6	112.108
H5	N1	H6	112.108

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

using model chemistry: B3PW91/STO-3G

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	-0.414
2	Cl	-0.477
3	H	0.229
4	H	0.229
5	H	0.229
6	H	0.204

	x	y	z	Total
	0.000	0.000	-7.451	7.451
CHELPG
AIM
ESP

<r²>	68.843
(<r²>)^1/2	8.297

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

using model chemistry: B3PW91/STO-3G

States and conformations

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