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	hartrees
Energy at 0K	-517.349705
Energy at 298.15K
HF Energy	-517.349705
Nuclear repulsion energy	51.074300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3461	3327	8.68
2	A₁	1251	1203	123.84
3	A₁	969	931	3528.66
4	A₁	409	393	39.71
5	E	3627	3487	36.30
5	E	3627	3487	36.30
6	E	1695	1629	47.16
6	E	1695	1629	47.16
7	E	1325	1274	103.89
7	E	1325	1274	103.89
8	E	342	328	7.32
8	E	342	328	7.32

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.766
Cl2	0.000	0.000	1.121
H3	0.000	0.971	-2.084
H4	0.841	-0.486	-2.084
H5	-0.841	-0.486	-2.084
H6	0.000	0.000	-0.437

	N1	Cl2	H3	H4	H5	H6
N1		2.8873	1.0221	1.0221	1.0221	1.3291
Cl2	2.8873		3.3493	3.3493	3.3493	1.5582
H3	1.0221	3.3493		1.6825	1.6825	1.9122
H4	1.0221	3.3493	1.6825		1.6825	1.9122
H5	1.0221	3.3493	1.6825	1.6825		1.9122
H6	1.3291	1.5582	1.9122	1.9122	1.9122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.781
H3	N1	H5	110.781	H3	N1	H6	108.127
H4	N1	H5	110.781	H4	N1	H6	108.127
H5	N1	H6	108.127

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

using model chemistry: B3LYP/SDD

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	-0.817
2	Cl	-0.485
3	H	0.356
4	H	0.356
5	H	0.356
6	H	0.233

	x	y	z	Total
	0.000	0.000	-7.767	7.767
CHELPG
AIM
ESP

<r²>	70.580
(<r²>)^1/2	8.401

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

using model chemistry: B3LYP/SDD

States and conformations

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