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	hartrees
Energy at 0K	-516.704148
Energy at 298.15K
HF Energy	-516.320067
Nuclear repulsion energy	48.499688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3502	3346	0.06
2	A₁	2607	2490	1160.29
3	A₁	1184	1131	138.39
4	A₁	172	164	14.40
5	E	3629	3466	6.44
5	E	3629	3466	6.44
6	E	1667	1592	21.24
6	E	1667	1592	21.24
7	E	708	676	72.51
7	E	708	676	72.51
8	E	221	211	18.61
8	E	221	211	18.61

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.961
Cl2	0.000	0.000	1.226
H3	0.000	0.940	-2.343
H4	0.814	-0.470	-2.343
H5	-0.814	-0.470	-2.343
H6	0.000	0.000	-0.083

	N1	Cl2	H3	H4	H5	H6
N1		3.1867	1.0143	1.0143	1.0143	1.8779
Cl2	3.1867		3.6902	3.6902	3.6902	1.3088
H3	1.0143	3.6902		1.6276	1.6276	2.4473
H4	1.0143	3.6902	1.6276		1.6276	2.4473
H5	1.0143	3.6902	1.6276	1.6276		2.4473
H6	1.8779	1.3088	2.4473	2.4473	2.4473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.704
H3	N1	H5	106.704	H3	N1	H6	112.114
H4	N1	H5	106.704	H4	N1	H6	112.114
H5	N1	H6	112.114

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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