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	hartrees
Energy at 0K	-567.626685
Energy at 298.15K	-567.630336
HF Energy	-567.514606
Nuclear repulsion energy	102.172574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3531	3139	1.26
2	A'	3337	2966	2.80
3	A'	1700	1511	5.52
4	A'	1603	1425	12.68
5	A'	1265	1124	0.80
6	A'	1153	1025	1.16
7	A'	801	712	5.43
8	A'	395	351	3.37
9	A"	3514	3123	3.04
10	A"	1672	1486	2.83
11	A"	1205	1072	1.95
12	A"	260	231	0.60

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.882	0.000
Cl2	-0.832	-0.709	0.000
C3	1.448	0.571	0.000
H4	1.944	1.564	0.000
H5	1.754	0.006	0.905
H6	1.754	0.006	-0.905

	O1	Cl2	C3	H4	H5	H6
O1		1.7957	1.4807	2.0596	2.1594	2.1594
Cl2	1.7957		2.6146	3.5873	2.8314	2.8314
C3	1.4807	2.6146		1.1091	1.1105	1.1105
H4	2.0596	3.5873	1.1091		1.8116	1.8116
H5	2.1594	2.8314	1.1105	1.8116		1.8110
H6	2.1594	2.8314	1.1105	1.8116	1.8110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.444	O1	C3	H5	112.103
O1	C3	H6	112.103	Cl2	O1	C3	105.482
H4	C3	H5	109.403	H4	C3	H6	109.403
H5	C3	H6	109.250

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

using model chemistry: MP2=FULL/STO-3G

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

using model chemistry: MP2=FULL/STO-3G

States and conformations

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