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	hartrees
Energy at 0K	-573.920727
Energy at 298.15K	-573.924540
HF Energy	-573.920727
Nuclear repulsion energy	107.263514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	2827	22.96
2	A'	3202	2740	47.49
3	A'	1647	1409	12.97
4	A'	1604	1373	11.46
5	A'	1323	1132	15.29
6	A'	1157	990	91.17
7	A'	769	658	7.15
8	A'	401	344	2.15
9	A"	3276	2803	55.08
10	A"	1617	1384	6.70
11	A"	1292	1106	3.23
12	A"	263	225	3.95

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.776	0.000
Cl2	-0.802	-0.688	0.000
C3	1.398	0.615	0.000
H4	1.791	1.621	0.000
H5	1.728	0.089	0.887
H6	1.728	0.089	-0.887

	O1	Cl2	C3	H4	H5	H6
O1		1.6688	1.4075	1.9807	2.0602	2.0602
Cl2	1.6688		2.5571	3.4723	2.7916	2.7916
C3	1.4075	2.5571		1.0803	1.0826	1.0826
H4	1.9807	3.4723	1.0803		1.7715	1.7715
H5	2.0602	2.7916	1.0826	1.7715		1.7740
H6	2.0602	2.7916	1.0826	1.7715	1.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.764	O1	C3	H5	110.986
O1	C3	H6	110.986	Cl2	O1	C3	112.174
H4	C3	H5	109.974	H4	C3	H6	109.974
H5	C3	H6	110.042

All results from a given calculation for CH₃OCl (methyl hypochlorite)

using model chemistry: ROHF/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	O	-0.456
2	Cl	0.136
3	C	-0.341
4	H	0.229
5	H	0.216
6	H	0.216

	x	y	z	Total
	2.054	-0.342	0.000	2.082
CHELPG
AIM
ESP

<r²>	66.342
(<r²>)^1/2	8.145

All results from a given calculation for CH3OCl (methyl hypochlorite)

using model chemistry: ROHF/6-311G*

States and conformations

All results from a given calculation for CH₃OCl (methyl hypochlorite)