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	hartrees
Energy at 0K	-516.139598
Energy at 298.15K	-516.142189
HF Energy	-516.139598
Nuclear repulsion energy	50.542092

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'	3360	3312	3.35	108.10	0.08	0.15
2	A'	1566	1544	24.94	11.71	0.56	0.72
3	A'	1074	1059	60.72	2.53	0.69	0.82
4	A'	624	615	3.43	22.73	0.25	0.40
5	A"	3469	3419	3.89	52.85	0.75	0.86
6	A"	1150	1133	0.00	7.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.044	1.159	0.000
Cl2	-0.044	-0.640	0.000
H3	0.533	1.386	0.814
H4	0.533	1.386	-0.814

	N1	Cl2	H3	H4
N1		1.7987	1.0231	1.0231
Cl2	1.7987		2.2585	2.2585
H3	1.0231	2.2585		1.6272
H4	1.0231	2.2585	1.6272

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	102.848		Cl2	N1	H4	102.848
H3	N1	H4	105.353

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: B97D3/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	-0.398
2	Cl	-0.063
3	H	0.231
4	H	0.231

	x	y	z	Total
	1.854	1.179	0.000	2.197
CHELPG
AIM
ESP

	x	y	z
x	1.948	0.190	0.000
y	0.190	4.221	0.000
z	0.000	0.000	2.183

<r²>	33.666
(<r²>)^1/2	5.802

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for NH₂Cl (chloramine)