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	hartrees
Energy at 0K	-499.560117
Energy at 298.15K	-499.563087
HF Energy	-499.148966
Nuclear repulsion energy	51.307327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3097	3097	22.85
2	A₁	1407	1407	12.50
3	A₁	755	755	24.59
4	E	3197	3197	4.06
4	E	3197	3197	4.06
5	E	1512	1512	5.31
5	E	1512	1512	5.31
6	E	1050	1050	1.60
6	E	1050	1050	1.60

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		1.7862	1.0849	1.0849	1.0849
Cl2	1.7862		2.3635	2.3635	2.3635
H3	1.0849	2.3635		1.7838	1.7838
H4	1.0849	2.3635	1.7838		1.7838
H5	1.0849	2.3635	1.7838	1.7838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.328	Cl2	C1	H4	108.328
Cl2	C1	H5	108.328	H3	C1	H4	110.590
H3	C1	H5	110.590	H4	C1	H5	110.590

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

using model chemistry: CCSD/daug-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/daug-cc-pVTZ

States and conformations

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