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	hartrees
Energy at 0K	-37.465098
Energy at 298.15K	-37.468775
HF Energy	-37.465098
Nuclear repulsion energy	41.611481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3365	3033	26.55
2	A'	3243	2924	56.57
3	A'	1638	1476	15.42
4	A'	1578	1422	13.10
5	A'	1273	1147	18.94
6	A'	1077	971	73.05
7	A'	706	636	17.99
8	A'	361	326	2.54
9	A"	3360	3028	73.95
10	A"	1608	1449	10.57
11	A"	1250	1127	2.33
12	A"	228	205	5.18

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.820	0.000
Cl2	-0.828	-0.755	0.000
C3	1.451	0.696	0.000
H4	1.788	1.727	0.000
H5	1.789	0.182	0.895
H6	1.789	0.182	-0.895

	O1	Cl2	C3	H4	H5	H6
O1		1.7788	1.4565	2.0051	2.0993	2.0993
Cl2	1.7788		2.7015	3.6059	2.9199	2.9199
C3	1.4565	2.7015		1.0851	1.0854	1.0854
H4	2.0051	3.6059	1.0851		1.7853	1.7853
H5	2.0993	2.9199	1.0854	1.7853		1.7892
H6	2.0993	2.9199	1.0854	1.7853	1.7892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	103.194	O1	C3	H5	110.505
O1	C3	H6	110.505	Cl2	O1	C3	112.853
H4	C3	H5	110.685	H4	C3	H6	110.685
H5	C3	H6	111.019

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

using model chemistry: HF/CEP-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	O	-0.443
2	Cl	0.140
3	C	-0.206
4	H	0.185
5	H	0.162
6	H	0.162

	x	y	z	Total
	2.861	-0.288	0.000	2.875
CHELPG
AIM
ESP

	x	y	z
x	3.912	2.037	0.000
y	2.037	4.593	0.000
z	0.000	0.000	1.744

<r²>	52.089
(<r²>)^1/2	7.217

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

using model chemistry: HF/CEP-31G

States and conformations

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