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	hartrees
Energy at 0K	-516.760166
Energy at 298.15K
HF Energy	-516.334573
Nuclear repulsion energy	48.759409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3592	3340	1.03
2	A₁	2625	2440	1293.62
3	A₁	1154	1073	141.92
4	A₁	168	156	15.89
5	E	3720	3459	14.37
5	E	3720	3459	14.37
6	E	1721	1600	20.70
6	E	1721	1600	20.70
7	E	711	661	47.54
7	E	711	661	47.54
8	E	214	199	19.44
8	E	214	199	19.44

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.956
Cl2	0.000	0.000	1.220
H3	0.000	0.935	-2.325
H4	0.810	-0.468	-2.325
H5	-0.810	-0.468	-2.325
H6	0.000	0.000	-0.081

	N1	Cl2	H3	H4	H5	H6
N1		3.1761	1.0057	1.0057	1.0057	1.8747
Cl2	3.1761		3.6665	3.6665	3.6665	1.3013
H3	1.0057	3.6665		1.6203	1.6203	2.4310
H4	1.0057	3.6665	1.6203		1.6203	2.4310
H5	1.0057	3.6665	1.6203	1.6203		2.4310
H6	1.8747	1.3013	2.4310	2.4310	2.4310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.335
H3	N1	H5	107.335	H3	N1	H6	111.531
H4	N1	H5	107.335	H4	N1	H6	111.531
H5	N1	H6	111.531

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

using model chemistry: CISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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