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	hartrees
Energy at 0K	-516.909896
Energy at 298.15K
HF Energy	-516.327268
Nuclear repulsion energy	48.596036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3535	3535	0.00
2	A₁	2579	2579	1306.66
3	A₁	1121	1121	146.25
4	A₁	168	168	16.14
5	E	3659	3659	13.71
5	E	3659	3659	13.71
6	E	1690	1690	20.77
6	E	1690	1690	20.77
7	E	698	698	35.48
7	E	698	698	35.48
8	E	207	207	18.00
8	E	207	207	18.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.962
Cl2	0.000	0.000	1.224
H3	0.000	0.940	-2.331
H4	0.814	-0.470	-2.331
H5	-0.814	-0.470	-2.331
H6	0.000	0.000	-0.081

	N1	Cl2	H3	H4	H5	H6
N1		3.1855	1.0104	1.0104	1.0104	1.8810
Cl2	3.1855		3.6774	3.6774	3.6774	1.3045
H3	1.0104	3.6774		1.6288	1.6288	2.4392
H4	1.0104	3.6774	1.6288		1.6288	2.4392
H5	1.0104	3.6774	1.6288	1.6288		2.4392
H6	1.8810	1.3045	2.4392	2.4392	2.4392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.412
H3	N1	H5	107.412	H3	N1	H6	111.459
H4	N1	H5	107.412	H4	N1	H6	111.459
H5	N1	H6	111.459

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

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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: CCSD=FULL/6-311+G(3df,2p)

States and conformations

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