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	hartrees
Energy at 0K	-514.975766
Energy at 298.15K
HF Energy	-514.975766
Nuclear repulsion energy	51.352337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3436	3287	11.13
2	A₁	1241	1187	2904.96
3	A₁	1181	1130	629.49
4	A₁	384	367	82.56
5	E	3584	3429	34.32
5	E	3584	3429	34.31
6	E	1732	1657	34.31
6	E	1732	1657	34.31
7	E	1275	1220	94.25
7	E	1275	1220	94.25
8	E	360	345	11.58
8	E	360	345	11.58

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.765
Cl2	0.000	0.000	1.114
H3	0.000	0.972	-2.078
H4	0.842	-0.486	-2.078
H5	-0.842	-0.486	-2.078
H6	0.000	0.000	-0.347

	N1	Cl2	H3	H4	H5	H6
N1		2.8797	1.0208	1.0208	1.0208	1.4188
Cl2	2.8797		3.3372	3.3372	3.3372	1.4609
H3	1.0208	3.3372		1.6830	1.6830	1.9857
H4	1.0208	3.3372	1.6830		1.6830	1.9857
H5	1.0208	3.3372	1.6830	1.6830		1.9857
H6	1.4188	1.4609	1.9857	1.9857	1.9857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	111.040
H3	N1	H5	111.040	H3	N1	H6	107.853
H4	N1	H5	111.040	H4	N1	H6	107.853
H5	N1	H6	107.853

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

using model chemistry: B1B95/3-21G

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	-0.806
2	Cl	-0.519
3	H	0.345
4	H	0.345
5	H	0.345
6	H	0.291

	x	y	z	Total
	0.000	0.000	-7.228	7.228
CHELPG
AIM
ESP

<r²>	69.997
(<r²>)^1/2	8.366

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

using model chemistry: B1B95/3-21G

States and conformations

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