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	hartrees
Energy at 0K	-516.320868
Energy at 298.15K
HF Energy	-516.320868
Nuclear repulsion energy	47.782517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3686	3349	1.40	108.63	0.03	0.06
2	A₁	2790	2535	916.47	342.23	0.39	0.56
3	A₁	1186	1077	214.66	0.47	0.45	0.62
4	A₁	153	139	8.59	0.66	0.33	0.50
5	E	3810	3462	12.31	53.02	0.75	0.86
5	E	3810	3462	12.31	53.02	0.75	0.86
6	E	1793	1629	27.91	6.26	0.75	0.86
6	E	1793	1629	27.91	6.26	0.75	0.86
7	E	652	592	91.21	3.73	0.75	0.86
7	E	652	592	91.21	3.73	0.75	0.86
8	E	219	199	17.53	2.66	0.75	0.86
8	E	219	199	17.53	2.66	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-2.034
Cl2	0.000	0.000	1.261
H3	0.000	0.935	-2.390
H4	0.810	-0.467	-2.390
H5	-0.810	-0.467	-2.390
H6	0.000	0.000	-0.034

	N1	Cl2	H3	H4	H5	H6
N1		3.2951	1.0005	1.0005	1.0005	1.9998
Cl2	3.2951		3.7693	3.7693	3.7693	1.2952
H3	1.0005	3.7693		1.6192	1.6192	2.5350
H4	1.0005	3.7693	1.6192		1.6192	2.5350
H5	1.0005	3.7693	1.6192	1.6192		2.5350
H6	1.9998	1.2952	2.5350	2.5350	2.5350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.034
H3	N1	H5	108.034	H3	N1	H6	110.873
H4	N1	H5	108.034	H4	N1	H6	110.873
H5	N1	H6	110.873

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

using model chemistry: HF/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	-0.628
2	Cl	-0.284
3	H	0.217
4	H	0.217
5	H	0.217
6	H	0.260

	x	y	z	Total
	0.000	0.000	-4.300	4.300
CHELPG
AIM
ESP

<r²>	87.334
(<r²>)^1/2	9.345

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

using model chemistry: HF/TZVP

States and conformations

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