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	hartrees
Energy at 0K	-516.010112
Energy at 298.15K
HF Energy	-515.842273
Nuclear repulsion energy	51.701407

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'	3483	3483	5.72	99.89	0.07	0.13
2	A'	1610	1610	21.32	2.74	0.65	0.78
3	A'	1074	1074	62.59	1.44	0.10	0.18
4	A'	697	697	2.84	19.72	0.19	0.32
5	A"	3577	3577	19.20	42.45	0.75	0.86
6	A"	1204	1204	0.03	1.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.043	1.124	0.000
Cl2	-0.043	-0.625	0.000
H3	0.514	1.375	0.811
H4	0.514	1.375	-0.811

	N1	Cl2	H3	H4
N1		1.7489	1.0154	1.0154
Cl2	1.7489		2.2285	2.2285
H3	1.0154	2.2285		1.6229
H4	1.0154	2.2285	1.6229

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	104.282		Cl2	N1	H4	104.282
H3	N1	H4	106.089

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂Cl (chloramine)