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	hartrees
Energy at 0K	-499.538599
Energy at 298.15K	-499.541582
HF Energy	-499.140404
Nuclear repulsion energy	51.489069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3122	3122	21.42
2	A₁	1417	1417	11.60
3	A₁	772	772	24.03
4	E	3223	3223	3.53
4	E	3223	3223	3.53
5	E	1518	1518	5.68
5	E	1518	1518	5.68
6	E	1057	1057	2.06
6	E	1057	1057	2.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.123
Cl2	0.000	0.000	0.655
H3	0.000	1.027	-1.467
H4	0.890	-0.514	-1.467
H5	-0.890	-0.514	-1.467

	C1	Cl2	H3	H4	H5
C1		1.7779	1.0834	1.0834	1.0834
Cl2	1.7779		2.3580	2.3580	2.3580
H3	1.0834	2.3580		1.7791	1.7791
H4	1.0834	2.3580	1.7791		1.7791
H5	1.0834	2.3580	1.7791	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.550	Cl2	C1	H4	108.550
Cl2	C1	H5	108.550	H3	C1	H4	110.376
H3	C1	H5	110.376	H4	C1	H5	110.376

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

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

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