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	hartrees
Energy at 0K	-574.376328
Energy at 298.15K	-574.380036
HF Energy	-573.879138
Nuclear repulsion energy	105.376167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3042	11.05
2	A'	3110	2931	34.74
3	A'	1560	1470	9.25
4	A'	1508	1421	6.10
5	A'	1225	1154	7.72
6	A'	1071	1010	52.27
7	A'	705	665	4.38
8	A'	375	353	2.53
9	A"	3200	3015	31.50
10	A"	1523	1435	5.94
11	A"	1197	1128	2.52
12	A"	248	234	3.33

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.810	0.000
Cl2	-0.812	-0.700	0.000
C3	1.417	0.609	0.000
H4	1.827	1.617	0.000
H5	1.737	0.074	0.894
H6	1.737	0.074	-0.894

	O1	Cl2	C3	H4	H5	H6
O1		1.7142	1.4316	1.9974	2.0873	2.0873
Cl2	1.7142		2.5854	3.5119	2.8096	2.8096
C3	1.4316	2.5854		1.0881	1.0901	1.0901
H4	1.9974	3.5119	1.0881		1.7862	1.7862
H5	2.0873	2.8096	1.0901	1.7862		1.7888
H6	2.0873	2.8096	1.0901	1.7862	1.7888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H4	104.048	O1	C3	H5	111.012
O1	C3	H6	111.012	Cl2	O1	C3	110.223
H4	C3	H5	110.179	H4	C3	H6	110.179
H5	C3	H6	110.260

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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