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	hartrees
Energy at 0K	-517.376652
Energy at 298.15K
HF Energy	-517.376652
Nuclear repulsion energy	49.782067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3508	3358	0.70
2	A₁	2035	1948	2544.08
3	A₁	1119	1072	118.59
4	A₁	212	203	51.70
5	E	3646	3490	19.45
5	E	3646	3490	19.48
6	E	1635	1565	23.06
6	E	1635	1565	23.10
7	E	860	823	31.92
7	E	860	823	31.91
8	E	251	241	13.49
8	E	251	240	13.50

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.864
Cl2	0.000	0.000	1.173
H3	0.000	0.947	-2.234
H4	0.820	-0.473	-2.234
H5	-0.820	-0.473	-2.234
H6	0.000	0.000	-0.190

	N1	Cl2	H3	H4	H5	H6
N1		3.0372	1.0165	1.0165	1.0165	1.6740
Cl2	3.0372		3.5363	3.5363	3.5363	1.3632
H3	1.0165	3.5363		1.6399	1.6399	2.2527
H4	1.0165	3.5363	1.6399		1.6399	2.2527
H5	1.0165	3.5363	1.6399	1.6399		2.2527
H6	1.6740	1.3632	2.2527	2.2527	2.2527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.534
H3	N1	H5	107.534	H3	N1	H6	111.345
H4	N1	H5	107.534	H4	N1	H6	111.345
H5	N1	H6	111.345

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	N	-0.096
2	Cl	-0.265
3	H	0.026
4	H	0.026
5	H	0.026
6	H	0.283

	x	y	z	Total
	0.000	0.000	-5.015	5.015
CHELPG
AIM
ESP

<r²>	77.073
(<r²>)^1/2	8.779

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

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

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