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	hartrees
Energy at 0K	-499.426279
Energy at 298.15K	-499.429268
HF Energy	-499.130489
Nuclear repulsion energy	51.424293

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	3119	2964	26.62	120.32	0.01	0.01
2	A₁	1440	1369	18.66	2.36	0.59	0.74
3	A₁	783	744	23.56	15.15	0.32	0.48
4	E	3227	3067	7.45	57.65	0.75	0.86
4	E	3227	3067	7.45	57.65	0.75	0.86
5	E	1496	1422	4.28	12.64	0.75	0.86
5	E	1496	1422	4.28	12.64	0.75	0.86
6	E	1064	1011	5.38	4.50	0.75	0.86
6	E	1064	1011	5.38	4.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.121
Cl2	0.000	0.000	0.656
H3	0.000	1.029	-1.474
H4	0.891	-0.515	-1.474
H5	-0.891	-0.515	-1.474

	C1	Cl2	H3	H4	H5
C1		1.7772	1.0881	1.0881	1.0881
Cl2	1.7772		2.3656	2.3656	2.3656
H3	1.0881	2.3656		1.7829	1.7829
H4	1.0881	2.3656	1.7829		1.7829
H5	1.0881	2.3656	1.7829	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.918	Cl2	C1	H4	108.918
Cl2	C1	H5	108.918	H3	C1	H4	110.019
H3	C1	H5	110.019	H4	C1	H5	110.019

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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