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	hartrees
Energy at 0K	-514.965397
Energy at 298.15K
HF Energy	-514.965397
Nuclear repulsion energy	51.441202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3436	3263	12.64
2	A₁	1228	1166	2847.62
3	A₁	1201	1140	756.71
4	A₁	409	389	53.87
5	E	3583	3402	39.02
5	E	3583	3402	39.02
6	E	1734	1646	35.04
6	E	1734	1646	35.04
7	E	1312	1246	94.08
7	E	1312	1246	94.08
8	E	368	350	11.44
8	E	368	350	11.44

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.758
Cl2	0.000	0.000	1.111
H3	0.000	0.973	-2.071
H4	0.843	-0.487	-2.071
H5	-0.843	-0.487	-2.071
H6	0.000	0.000	-0.364

	N1	Cl2	H3	H4	H5	H6
N1		2.8685	1.0223	1.0223	1.0223	1.3933
Cl2	2.8685		3.3275	3.3275	3.3275	1.4752
H3	1.0223	3.3275		1.6853	1.6853	1.9647
H4	1.0223	3.3275	1.6853		1.6853	1.9647
H5	1.0223	3.3275	1.6853	1.6853		1.9647
H6	1.3933	1.4752	1.9647	1.9647	1.9647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	111.031
H3	N1	H5	111.031	H3	N1	H6	107.863
H4	N1	H5	111.031	H4	N1	H6	107.863
H5	N1	H6	107.863

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

using model chemistry: mPW1PW91/3-21G*

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	-0.818
2	Cl	-0.530
3	H	0.352
4	H	0.352
5	H	0.352
6	H	0.293

	x	y	z	Total
	0.000	0.000	-7.419	7.419
CHELPG
AIM
ESP

<r²>	69.631
(<r²>)^1/2	8.345

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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