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	hartrees
Energy at 0K	-517.428348
Energy at 298.15K
HF Energy	-517.428348
Nuclear repulsion energy	49.588473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3516	3364	1.99
2	A₁	2178	2084	2115.82
3	A₁	1119	1070	142.03
4	A₁	196	187	35.66
5	E	3647	3490	18.34
5	E	3647	3490	18.34
6	E	1668	1596	28.54
6	E	1668	1596	28.54
7	E	830	794	63.66
7	E	830	794	63.66
8	E	250	239	16.64
8	E	250	239	16.64

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.887
Cl2	0.000	0.000	1.183
H3	0.000	0.944	-2.248
H4	0.818	-0.472	-2.248
H5	-0.818	-0.472	-2.248
H6	0.000	0.000	-0.160

	N1	Cl2	H3	H4	H5	H6
N1		3.0705	1.0109	1.0109	1.0109	1.7271
Cl2	3.0705		3.5592	3.5592	3.5592	1.3434
H3	1.0109	3.5592		1.6354	1.6354	2.2918
H4	1.0109	3.5592	1.6354		1.6354	2.2918
H5	1.0109	3.5592	1.6354	1.6354		2.2918
H6	1.7271	1.3434	2.2918	2.2918	2.2918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.968
H3	N1	H5	107.968	H3	N1	H6	110.935
H4	N1	H5	107.968	H4	N1	H6	110.935
H5	N1	H6	110.935

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

using model chemistry: B1B95/TZVP

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	-0.638
2	Cl	-0.336
3	H	0.239
4	H	0.239
5	H	0.239
6	H	0.258

	x	y	z	Total
	0.000	0.000	-5.088	5.088
CHELPG
AIM
ESP

<r²>	78.116
(<r²>)^1/2	8.838

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

using model chemistry: B1B95/TZVP

States and conformations

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