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	hartrees
Energy at 0K	-515.048748
Energy at 298.15K	-515.051431
HF Energy	-515.048748
Nuclear repulsion energy	52.226389

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'	3737	3373	8.34	98.55	0.10	0.19
2	A'	1752	1581	27.16	7.71	0.62	0.77
3	A'	1146	1034	101.64	2.99	0.55	0.71
4	A'	779	703	8.99	42.39	0.28	0.44
5	A"	3845	3471	20.22	59.29	0.75	0.86
6	A"	1311	1183	0.01	5.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.040	1.110	0.000
Cl2	-0.040	-0.620	0.000
H3	0.484	1.381	0.809
H4	0.484	1.381	-0.809

	N1	Cl2	H3	H4
N1		1.7300	1.0014	1.0014
Cl2	1.7300		2.2208	2.2208
H3	1.0014	2.2208		1.6175
H4	1.0014	2.2208	1.6175

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	N1	H3	105.672		Cl2	N1	H4	105.672
H3	N1	H4	107.738

All results from a given calculation for NH₂Cl (chloramine)

using model chemistry: HF/6-31G**

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	-0.681
2	Cl	0.058
3	H	0.311
4	H	0.311

	x	y	z	Total
	1.872	1.292	0.000	2.274
CHELPG
AIM
ESP

	x	y	z
x	1.589	0.265	0.000
y	0.265	3.742	0.000
z	0.000	0.000	1.963

<r²>	32.258
(<r²>)^1/2	5.680

All results from a given calculation for NH2Cl (chloramine)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for NH₂Cl (chloramine)