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	hartrees
Energy at 0K	-516.682893
Energy at 298.15K
HF Energy	-516.305839
Nuclear repulsion energy	49.502736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3478	3371	0.05
2	A₁	2257	2187	2180.68
3	A₁	1131	1096	112.46
4	A₁	198	192	37.67
5	E	3634	3522	19.92
5	E	3634	3522	19.92
6	E	1644	1594	20.00
6	E	1644	1594	20.00
7	E	841	815	30.47
7	E	841	815	30.47
8	E	245	237	15.45
8	E	245	237	15.45

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.882
Cl2	0.000	0.000	1.184
H3	0.000	0.946	-2.262
H4	0.819	-0.473	-2.262
H5	-0.819	-0.473	-2.262
H6	0.000	0.000	-0.158

	N1	Cl2	H3	H4	H5	H6
N1		3.0660	1.0195	1.0195	1.0195	1.7245
Cl2	3.0660		3.5732	3.5732	3.5732	1.3415
H3	1.0195	3.5732		1.6388	1.6388	2.3071
H4	1.0195	3.5732	1.6388		1.6388	2.3071
H5	1.0195	3.5732	1.6388	1.6388		2.3071
H6	1.7245	1.3415	2.3071	2.3071	2.3071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.976
H3	N1	H5	106.976	H3	N1	H6	111.864
H4	N1	H5	106.976	H4	N1	H6	111.864
H5	N1	H6	111.864

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

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

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