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	hartrees
Energy at 0K	-499.675269
Energy at 298.15K	-499.678248
HF Energy	-499.154719
Nuclear repulsion energy	51.571691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3115	3115	21.86
2	A₁	1407	1407	11.35
3	A₁	767	767	24.19
4	E	3217	3217	4.13
4	E	3217	3217	4.13
5	E	1514	1514	5.78
5	E	1514	1514	5.78
6	E	1050	1050	2.02
6	E	1050	1050	2.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.121
Cl2	0.000	0.000	0.654
H3	0.000	1.025	-1.465
H4	0.888	-0.512	-1.465
H5	-0.888	-0.512	-1.465

	C1	Cl2	H3	H4	H5
C1		1.7757	1.0807	1.0807	1.0807
Cl2	1.7757		2.3536	2.3536	2.3536
H3	1.0807	2.3536		1.7750	1.7750
H4	1.0807	2.3536	1.7750		1.7750
H5	1.0807	2.3536	1.7750	1.7750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.507	Cl2	C1	H4	108.507
Cl2	C1	H5	108.507	H3	C1	H4	110.418
H3	C1	H5	110.418	H4	C1	H5	110.418

All results from a given calculation for CH₃Cl (Methyl chloride)

using model chemistry: CCSD=FULL/cc-pVQZ

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 CH3Cl (Methyl chloride)

using model chemistry: CCSD=FULL/cc-pVQZ

States and conformations

All results from a given calculation for CH₃Cl (Methyl chloride)