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	hartrees
Energy at 0K	-513.954892
Energy at 298.15K
HF Energy	-513.778179
Nuclear repulsion energy	50.412618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3417	3216	24.31
2	A₁	1564	1472	3898.51
3	A₁	1422	1339	115.48
4	A₁	389	366	151.72
5	E	3529	3322	64.01
5	E	3529	3322	64.01
6	E	1779	1674	12.34
6	E	1779	1674	12.34
7	E	1606	1512	142.09
7	E	1606	1512	142.09
8	E	362	341	3.02
8	E	362	341	3.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.784
Cl2	0.000	0.000	1.143
H3	0.000	0.973	-2.108
H4	0.843	-0.487	-2.108
H5	-0.843	-0.487	-2.108
H6	0.000	0.000	-0.618

	N1	Cl2	H3	H4	H5	H6
N1		2.9275	1.0258	1.0258	1.0258	1.1667
Cl2	2.9275		3.3940	3.3940	3.3940	1.7608
H3	1.0258	3.3940		1.6858	1.6858	1.7803
H4	1.0258	3.3940	1.6858		1.6858	1.7803
H5	1.0258	3.3940	1.6858	1.6858		1.7803
H6	1.1667	1.7608	1.7803	1.7803	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.511
H3	N1	H5	110.511	H3	N1	H6	108.410
H4	N1	H5	110.511	H4	N1	H6	108.410
H5	N1	H6	108.410

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

using model chemistry: CISD/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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All results from a given calculation for NH4Cl (Ammonium chloride)

using model chemistry: CISD/3-21G

States and conformations

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