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	hartrees
Energy at 0K	-499.426857
Energy at 298.15K	-499.429823
HF Energy	-499.122340
Nuclear repulsion energy	50.945859

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	3101	3101	24.59	151.98	0.00	0.00
2	A₁	1368	1368	13.30	0.05	0.02	0.04
3	A₁	749	749	25.96	18.91	0.16	0.27
4	E	3221	3221	3.79	49.50	0.75	0.86
4	E	3221	3221	3.79	49.50	0.75	0.86
5	E	1474	1474	4.78	3.98	0.75	0.86
5	E	1474	1474	4.78	3.98	0.75	0.86
6	E	1034	1034	1.85	0.67	0.75	0.86
6	E	1034	1034	1.85	0.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.136
Cl2	0.000	0.000	0.662
H3	0.000	1.041	-1.478
H4	0.901	-0.520	-1.478
H5	-0.901	-0.520	-1.478

	C1	Cl2	H3	H4	H5
C1		1.7973	1.0958	1.0958	1.0958
Cl2	1.7973		2.3798	2.3798	2.3798
H3	1.0958	2.3798		1.8027	1.8027
H4	1.0958	2.3798	1.8027		1.8027
H5	1.0958	2.3798	1.8027	1.8027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.232	Cl2	C1	H4	108.232
Cl2	C1	H5	108.232	H3	C1	H4	110.682
H3	C1	H5	110.682	H4	C1	H5	110.682

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

using model chemistry: MP2/daug-cc-pVDZ

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-pVDZ

States and conformations

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