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	hartrees
Energy at 0K	-516.145623
Energy at 298.15K	-516.148242
HF Energy	-516.145623
Nuclear repulsion energy	50.840458

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'	3435	3333	4.73	116.38	0.07	0.12
2	A'	1567	1521	19.91	3.73	0.50	0.67
3	A'	1073	1042	55.88	1.42	0.09	0.16
4	A'	671	651	2.45	22.74	0.19	0.33
5	A"	3531	3427	14.23	44.49	0.75	0.86
6	A"	1168	1134	0.05	1.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.044	1.149	0.000
Cl2	-0.044	-0.636	0.000
H3	0.531	1.384	0.813
H4	0.531	1.384	-0.813

	N1	Cl2	H3	H4
N1		1.7848	1.0228	1.0228
Cl2	1.7848		2.2519	2.2519
H3	1.0228	2.2519		1.6253
H4	1.0228	2.2519	1.6253

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	103.292		Cl2	N1	H4	103.292
H3	N1	H4	105.224

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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	-0.258
2	Cl	0.192
3	H	0.033
4	H	0.033

	x	y	z	Total
	1.587	1.220	0.000	2.001
CHELPG
AIM
ESP

	x	y	z
x	3.328	0.120	0.000
y	0.120	5.113	0.000
z	0.000	0.000	3.346

<r²>	33.586
(<r²>)^1/2	5.795

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂Cl (chloramine)