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	hartrees
Energy at 0K	-517.194297
Energy at 298.15K
HF Energy	-517.070875
Nuclear repulsion energy	49.560364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3475	3342	0.16
2	A₁	2138	2057	2312.00
3	A₁	1128	1085	107.31
4	A₁	198	190	42.99
5	E	3613	3475	17.71
5	E	3613	3475	17.71
6	E	1644	1581	21.03
6	E	1644	1581	21.03
7	E	849	817	29.31
7	E	849	817	29.31
8	E	253	244	14.61
8	E	253	244	14.61

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.878
Cl2	0.000	0.000	1.181
H3	0.000	0.946	-2.253
H4	0.819	-0.473	-2.253
H5	-0.819	-0.473	-2.253
H6	0.000	0.000	-0.173

	N1	Cl2	H3	H4	H5	H6
N1		3.0594	1.0176	1.0176	1.0176	1.7057
Cl2	3.0594		3.5620	3.5620	3.5620	1.3537
H3	1.0176	3.5620		1.6388	1.6388	2.2853
H4	1.0176	3.5620	1.6388		1.6388	2.2853
H5	1.0176	3.5620	1.6388	1.6388		2.2853
H6	1.7057	1.3537	2.2853	2.2853	2.2853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.262
H3	N1	H5	107.262	H3	N1	H6	111.599
H4	N1	H5	107.262	H4	N1	H6	111.599
H5	N1	H6	111.599

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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