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	hartrees
Energy at 0K	-499.530351
Energy at 298.15K	-499.533325
HF Energy	-499.148983
Nuclear repulsion energy	51.443968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3110	3110	21.85	150.23	0.00	0.00
2	A₁	1400	1400	11.34	0.07	0.04	0.08
3	A₁	765	765	23.60	17.00	0.15	0.26
4	E	3221	3221	2.30	47.64	0.75	0.86
4	E	3221	3221	2.30	47.64	0.75	0.86
5	E	1510	1510	5.67	3.80	0.75	0.86
5	E	1510	1510	5.67	3.80	0.75	0.86
6	E	1049	1049	1.99	0.50	0.75	0.86
6	E	1049	1049	1.99	0.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
Cl2	0.000	0.000	0.656
H3	0.000	1.029	-1.466
H4	0.891	-0.514	-1.466
H5	-0.891	-0.514	-1.466

	C1	Cl2	H3	H4	H5
C1		1.7801	1.0841	1.0841	1.0841
Cl2	1.7801		2.3581	2.3581	2.3581
H3	1.0841	2.3581		1.7820	1.7820
H4	1.0841	2.3581	1.7820		1.7820
H5	1.0841	2.3581	1.7820	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.372	Cl2	C1	H4	108.372
Cl2	C1	H5	108.372	H3	C1	H4	110.548
H3	C1	H5	110.548	H4	C1	H5	110.548

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

using model chemistry: MP2/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: MP2/daug-cc-pVTZ

States and conformations

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