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	hartrees
Energy at 0K	-493.787633
Energy at 298.15K	-493.790605
HF Energy	-493.722175
Nuclear repulsion energy	50.245501

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	3376	3001	0.04	33.87	0.03	0.05
2	A₁	1550	1378	13.58	2.35	0.66	0.79
3	A₁	883	785	14.78	14.65	0.33	0.50
4	E	3569	3172	0.00	24.00	0.75	0.86
4	E	3569	3172	0.00	24.00	0.75	0.86
5	E	1681	1494	3.50	15.66	0.75	0.86
5	E	1681	1494	3.50	15.66	0.75	0.86
6	E	1116	992	0.00	4.91	0.75	0.86
6	E	1116	992	0.00	4.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.151
Cl2	0.000	0.000	0.673
H3	0.000	1.046	-1.508
H4	0.906	-0.523	-1.508
H5	-0.906	-0.523	-1.508

	C1	Cl2	H3	H4	H5
C1		1.8240	1.1052	1.1052	1.1052
Cl2	1.8240		2.4188	2.4188	2.4188
H3	1.1052	2.4188		1.8116	1.8116
H4	1.1052	2.4188	1.8116		1.8116
H5	1.1052	2.4188	1.8116	1.8116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.844	Cl2	C1	H4	108.844
Cl2	C1	H5	108.844	H3	C1	H4	110.091
H3	C1	H5	110.091	H4	C1	H5	110.091

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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