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	hartrees
Energy at 0K	-516.667268
Energy at 298.15K
HF Energy	-516.297461
Nuclear repulsion energy	48.457348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3474	3333	0.49
2	A₁	2596	2490	1329.27
3	A₁	1187	1138	83.22
4	A₁	185	177	17.23
5	E	3603	3457	4.89
5	E	3603	3457	4.89
6	E	1680	1612	13.60
6	E	1680	1612	13.60
7	E	741	711	63.83
7	E	741	711	63.83
8	E	221	212	21.23
8	E	221	212	21.23

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.946
Cl2	0.000	0.000	1.222
H3	0.000	0.941	-2.353
H4	0.815	-0.470	-2.353
H5	-0.815	-0.470	-2.353
H6	0.000	0.000	-0.098

	N1	Cl2	H3	H4	H5	H6
N1		3.1686	1.0249	1.0249	1.0249	1.8479
Cl2	3.1686		3.6966	3.6966	3.6966	1.3207
H3	1.0249	3.6966		1.6297	1.6297	2.4426
H4	1.0249	3.6966	1.6297		1.6297	2.4426
H5	1.0249	3.6966	1.6297	1.6297		2.4426
H6	1.8479	1.3207	2.4426	2.4426	2.4426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	105.324
H3	N1	H5	105.324	H3	N1	H6	113.354
H4	N1	H5	105.324	H4	N1	H6	113.354
H5	N1	H6	113.354

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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