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	hartrees
Energy at 0K	-510.620709
Energy at 298.15K
HF Energy	-510.620709
Nuclear repulsion energy	51.600409

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	3884	3171	2.25	56.82	0.02	0.05
2	A₁	2259	1845	4101.95	59.93	0.39	0.56
3	A₁	1473	1203	33.60	1.34	0.52	0.69
4	A₁	395	322	98.90	1.50	0.27	0.43
5	E	4144	3383	12.95	30.47	0.75	0.86
5	E	4144	3383	12.95	30.47	0.75	0.86
6	E	1989	1624	9.44	15.28	0.75	0.86
6	E	1989	1624	9.44	15.28	0.75	0.86
7	E	1323	1080	146.23	0.56	0.75	0.86
7	E	1323	1080	146.23	0.56	0.75	0.86
8	E	420	343	14.75	7.38	0.75	0.86
8	E	420	343	14.75	7.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.739
Cl2	0.000	0.000	1.108
H3	0.000	0.956	-2.122
H4	0.828	-0.478	-2.122
H5	-0.828	-0.478	-2.122
H6	0.000	0.000	-0.303

	N1	Cl2	H3	H4	H5	H6
N1		2.8469	1.0304	1.0304	1.0304	1.4355
Cl2	2.8469		3.3690	3.3690	3.3690	1.4114
H3	1.0304	3.3690		1.6565	1.6565	2.0551
H4	1.0304	3.3690	1.6565		1.6565	2.0551
H5	1.0304	3.3690	1.6565	1.6565		2.0551
H6	1.4355	1.4114	2.0551	2.0551	2.0551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.993
H3	N1	H5	106.993	H3	N1	H6	111.848
H4	N1	H5	106.993	H4	N1	H6	111.848
H5	N1	H6	111.848

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

using model chemistry: HF/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	-0.433
2	Cl	-0.466
3	H	0.214
4	H	0.214
5	H	0.214
6	H	0.258

	x	y	z	Total
	0.000	0.000	-6.930	6.930
CHELPG
AIM
ESP

<r²>	68.651
(<r²>)^1/2	8.286

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

using model chemistry: HF/STO-3G

States and conformations

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