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	hartrees
Energy at 0K	-511.641535
Energy at 298.15K
HF Energy	-511.641535
Nuclear repulsion energy	51.233751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3584	3164	0.70
2	A₁	2255	1991	3334.30
3	A₁	1322	1167	9.63
4	A₁	453	400	21.70
5	E	3838	3389	10.20
5	E	3838	3389	10.20
6	E	1837	1622	10.42
6	E	1837	1622	10.42
7	E	1311	1158	113.96
7	E	1311	1158	113.96
8	E	390	344	19.47
8	E	390	344	19.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.738
Cl2	0.000	0.000	1.112
H3	0.000	0.971	-2.131
H4	0.841	-0.486	-2.131
H5	-0.841	-0.486	-2.131
H6	0.000	0.000	-0.344

	N1	Cl2	H3	H4	H5	H6
N1		2.8500	1.0477	1.0477	1.0477	1.3941
Cl2	2.8500		3.3855	3.3855	3.3855	1.4559
H3	1.0477	3.3855		1.6820	1.6820	2.0341
H4	1.0477	3.3855	1.6820		1.6820	2.0341
H5	1.0477	3.3855	1.6820	1.6820		2.0341
H6	1.3941	1.4559	2.0341	2.0341	2.0341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.782
H3	N1	H5	106.782	H3	N1	H6	112.043
H4	N1	H5	106.782	H4	N1	H6	112.043
H5	N1	H6	112.043

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

using model chemistry: B1B95/STO-3G

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	-0.421
2	Cl	-0.480
3	H	0.230
4	H	0.230
5	H	0.230
6	H	0.212

	x	y	z	Total
	0.000	0.000	-7.449	7.449
CHELPG
AIM
ESP

<r²>	68.737
(<r²>)^1/2	8.291

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

using model chemistry: B1B95/STO-3G

States and conformations

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