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	hartrees
Energy at 0K	-517.430677
Energy at 298.15K
HF Energy	-517.430677
Nuclear repulsion energy	49.470304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3470	3350	1.40
2	A₁	2125	2052	2121.32
3	A₁	1116	1077	135.97
4	A₁	200	193	36.25
5	E	3594	3470	15.85
5	E	3594	3470	15.85
6	E	1665	1607	28.24
6	E	1665	1607	28.24
7	E	847	818	59.06
7	E	847	818	59.06
8	E	256	248	16.85
8	E	256	248	16.85

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.890
Cl2	0.000	0.000	1.185
H3	0.000	0.948	-2.250
H4	0.821	-0.474	-2.250
H5	-0.821	-0.474	-2.250
H6	0.000	0.000	-0.168

	N1	Cl2	H3	H4	H5	H6
N1		3.0747	1.0145	1.0145	1.0145	1.7221
Cl2	3.0747		3.5633	3.5633	3.5633	1.3526
H3	1.0145	3.5633		1.6428	1.6428	2.2880
H4	1.0145	3.5633	1.6428		1.6428	2.2880
H5	1.0145	3.5633	1.6428	1.6428		2.2880
H6	1.7221	1.3526	2.2880	2.2880	2.2880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.125
H3	N1	H5	108.125	H3	N1	H6	110.786
H4	N1	H5	108.125	H4	N1	H6	110.786
H5	N1	H6	110.786

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

using model chemistry: B3LYP/TZVP

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	-0.616
2	Cl	-0.329
3	H	0.233
4	H	0.233
5	H	0.233
6	H	0.244

	x	y	z	Total
	0.000	0.000	-5.140	5.140
CHELPG
AIM
ESP

<r²>	78.418
(<r²>)^1/2	8.855

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

using model chemistry: B3LYP/TZVP

States and conformations

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