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	hartrees
Energy at 0K	-516.664250
Energy at 298.15K
HF Energy	-516.307671
Nuclear repulsion energy	48.730251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3549	3549	0.03
2	A₁	2528	2528	1503.14
3	A₁	1160	1160	135.44
4	A₁	171	171	20.98
5	E	3682	3682	12.66
5	E	3682	3682	12.66
6	E	1689	1689	19.39
6	E	1689	1689	19.39
7	E	737	737	37.82
7	E	737	737	37.82
8	E	221	221	15.96
8	E	221	221	15.96

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.942
Cl2	0.000	0.000	1.216
H3	0.000	0.942	-2.321
H4	0.815	-0.471	-2.321
H5	-0.815	-0.471	-2.321
H6	0.000	0.000	-0.104

	N1	Cl2	H3	H4	H5	H6
N1		3.1580	1.0149	1.0149	1.0149	1.8387
Cl2	3.1580		3.6598	3.6598	3.6598	1.3193
H3	1.0149	3.6598		1.6309	1.6309	2.4090
H4	1.0149	3.6598	1.6309		1.6309	2.4090
H5	1.0149	3.6598	1.6309	1.6309		2.4090
H6	1.8387	1.3193	2.4090	2.4090	2.4090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.930
H3	N1	H5	106.930	H3	N1	H6	111.906
H4	N1	H5	106.930	H4	N1	H6	111.906
H5	N1	H6	111.906

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

using model chemistry: CISD/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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