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	hartrees
Energy at 0K	-499.553427
Energy at 298.15K	-499.556401
HF Energy	-499.148766
Nuclear repulsion energy	51.382673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3096	2956	23.49
2	A₁	1402	1339	13.52
3	A₁	757	723	23.87
4	E	3195	3050	6.14
4	E	3195	3050	6.14
5	E	1506	1438	4.91
5	E	1506	1438	4.91
6	E	1043	996	2.09
6	E	1043	996	2.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
Cl2	0.000	0.000	0.657
H3	0.000	1.028	-1.471
H4	0.890	-0.514	-1.471
H5	-0.890	-0.514	-1.471

	C1	Cl2	H3	H4	H5
C1		1.7820	1.0847	1.0847	1.0847
Cl2	1.7820		2.3632	2.3632	2.3632
H3	1.0847	2.3632		1.7806	1.7806
H4	1.0847	2.3632	1.7806		1.7806
H5	1.0847	2.3632	1.7806	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.598	Cl2	C1	H4	108.598
Cl2	C1	H5	108.598	H3	C1	H4	110.330
H3	C1	H5	110.330	H4	C1	H5	110.330

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

using model chemistry: QCISD/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: QCISD/cc-pV(T+d)Z

States and conformations

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