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	hartrees
Energy at 0K	-517.306886
Energy at 298.15K
HF Energy	-517.306886
Nuclear repulsion energy	50.294213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3507	3361	5.76
2	A₁	1950	1869	2595.44
3	A₁	1150	1102	90.84
4	A₁	240	230	55.65
5	E	3650	3498	21.00
5	E	3650	3498	21.00
6	E	1674	1605	26.78
6	E	1674	1605	26.78
7	E	963	923	73.23
7	E	963	923	73.23
8	E	296	283	18.63
8	E	296	283	18.63

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.834
Cl2	0.000	0.000	1.156
H3	0.000	0.948	-2.197
H4	0.821	-0.474	-2.197
H5	-0.821	-0.474	-2.197
H6	0.000	0.000	-0.215

	N1	Cl2	H3	H4	H5	H6
N1		2.9895	1.0154	1.0154	1.0154	1.6188
Cl2	2.9895		3.4844	3.4844	3.4844	1.3707
H3	1.0154	3.4844		1.6423	1.6423	2.1973
H4	1.0154	3.4844	1.6423		1.6423	2.1973
H5	1.0154	3.4844	1.6423	1.6423		2.1973
H6	1.6188	1.3707	2.1973	2.1973	2.1973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.933
H3	N1	H5	107.933	H3	N1	H6	110.969
H4	N1	H5	107.933	H4	N1	H6	110.969
H5	N1	H6	110.969

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

using model chemistry: B3PW91/6-31G**

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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Number	Element	Mulliken
1	N	-0.767
2	Cl	-0.350
3	H	0.302
4	H	0.302
5	H	0.302
6	H	0.212

	x	y	z	Total
	0.000	0.000	-5.813	5.813
CHELPG
AIM
ESP

<r²>	74.744
(<r²>)^1/2	8.645

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

using model chemistry: B3PW91/6-31G**

States and conformations

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