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	hartrees
Energy at 0K	-499.559523
Energy at 298.15K	-499.562499
HF Energy	-499.148834
Nuclear repulsion energy	51.300870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3093	2977	23.35
2	A₁	1408	1355	12.74
3	A₁	753	724	24.67
4	E	3193	3073	4.25
4	E	3193	3073	4.25
5	E	1513	1456	5.24
5	E	1513	1456	5.24
6	E	1051	1011	1.58
6	E	1051	1011	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.129
Cl2	0.000	0.000	0.658
H3	0.000	1.030	-1.470
H4	0.892	-0.515	-1.470
H5	-0.892	-0.515	-1.470

	C1	Cl2	H3	H4	H5
C1		1.7863	1.0852	1.0852	1.0852
Cl2	1.7863		2.3637	2.3637	2.3637
H3	1.0852	2.3637		1.7844	1.7844
H4	1.0852	2.3637	1.7844		1.7844
H5	1.0852	2.3637	1.7844	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.320	Cl2	C1	H4	108.320
Cl2	C1	H5	108.320	H3	C1	H4	110.597
H3	C1	H5	110.597	H4	C1	H5	110.597

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

using model chemistry: QCISD/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: QCISD/aug-cc-pVTZ

States and conformations

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