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	hartrees
Energy at 0K	-515.080580
Energy at 298.15K	-515.083267
HF Energy	-515.080580
Nuclear repulsion energy	52.123895

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'	3754	3395	5.00	90.01	0.12	0.21
2	A'	1814	1641	28.66	6.56	0.72	0.84
3	A'	1191	1077	105.14	1.56	0.59	0.74
4	A'	768	695	9.24	43.04	0.29	0.45
5	A"	3846	3478	13.48	56.55	0.75	0.86
6	A"	1340	1211	1.18	4.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.040	1.114	0.000
Cl2	-0.040	-0.621	0.000
H3	0.486	1.382	0.805
H4	0.486	1.382	-0.805

	N1	Cl2	H3	H4
N1		1.7358	0.9984	0.9984
Cl2	1.7358		2.2223	2.2223
H3	0.9984	2.2223		1.6105
H4	0.9984	2.2223	1.6105

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	105.546		Cl2	N1	H4	105.546
H3	N1	H4	107.527

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: HF/6-311G*

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	-0.776
2	Cl	0.018
3	H	0.379
4	H	0.379

	x	y	z	Total
	1.918	1.369	0.000	2.357
CHELPG
AIM
ESP

	x	y	z
x	1.487	0.231	0.000
y	0.231	3.877	0.000
z	0.000	0.000	1.823

<r²>	32.536
(<r²>)^1/2	5.704

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for NH₂Cl (chloramine)