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	hartrees
Energy at 0K	-513.470393
Energy at 298.15K
HF Energy	-513.385361
Nuclear repulsion energy	50.320796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3323	3323	1.69	111.71	0.10	0.19
2	A'	1666	1666	18.65	16.45	0.44	0.61
3	A'	1068	1068	73.50	7.90	0.51	0.68
4	A'	607	607	8.29	28.59	0.20	0.34
5	A"	3445	3445	1.74	62.16	0.75	0.86
6	A"	1212	1212	0.11	8.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.042	1.159	0.000
Cl2	-0.042	-0.643	0.000
H3	0.507	1.412	0.834
H4	0.507	1.412	-0.834

	N1	Cl2	H3	H4
N1		1.8024	1.0301	1.0301
Cl2	1.8024		2.2851	2.2851
H3	1.0301	2.2851		1.6678
H4	1.0301	2.2851	1.6678

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	104.212		Cl2	N1	H4	104.212
H3	N1	H4	108.097

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for NH2Cl (chloramine)

using model chemistry: B2PLYP=FULLultrafine/3-21G*

States and conformations

All results from a given calculation for NH₂Cl (chloramine)