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	hartrees
Energy at 0K	-499.702291
Energy at 298.15K	-499.705328
HF Energy	-499.149836
Nuclear repulsion energy	51.481435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3096	3096
2	A₁	1396	1396
3	A₁	755	755
4	E	3173	3173
4	E	3173	3173
5	E	1511	1511
5	E	1510	1510
6	E	1041	1041
6	E	1040	1040

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.123
Cl2	0.000	0.000	0.655
H3	0.000	1.028	-1.466
H4	0.891	-0.514	-1.466
H5	-0.891	-0.514	-1.466

	C1	Cl2	H3	H4	H5
C1		1.7783	1.0840	1.0840	1.0840
Cl2	1.7783		2.3572	2.3572	2.3572
H3	1.0840	2.3572		1.7812	1.7812
H4	1.0840	2.3572	1.7812		1.7812
H5	1.0840	2.3572	1.7812	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.433	Cl2	C1	H4	108.434
Cl2	C1	H5	108.434	H3	C1	H4	110.489
H3	C1	H5	110.489	H4	C1	H5	110.489

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

using model chemistry: CCSD(T)=FULL/aug-cc-pV(T+d)Z

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(T)=FULL/aug-cc-pV(T+d)Z

States and conformations

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