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	hartrees
Energy at 0K	-499.629743
Energy at 298.15K	-499.632712
HF Energy	-499.148881
Nuclear repulsion energy	51.361045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3098	2986
2	A₁	1395	1344
3	A₁	749	722
4	E	3176	3061
4	E	3176	3061
5	E	1510	1456
5	E	1510	1455
6	E	1040	1002
6	E	1039	1002

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.127
Cl2	0.000	0.000	0.657
H3	0.000	1.029	-1.468
H4	0.891	-0.514	-1.468
H5	-0.891	-0.514	-1.468

	C1	Cl2	H3	H4	H5
C1		1.7842	1.0838	1.0838	1.0838
Cl2	1.7842		2.3611	2.3611	2.3611
H3	1.0838	2.3611		1.7819	1.7819
H4	1.0838	2.3611	1.7819		1.7819
H5	1.0838	2.3611	1.7819	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.338	Cl2	C1	H4	108.338
Cl2	C1	H5	108.338	H3	C1	H4	110.580
H3	C1	H5	110.580	H4	C1	H5	110.580

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

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-pVTZ

States and conformations

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