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	hartrees
Energy at 0K	-499.459595
Energy at 298.15K	-499.462569
HF Energy	-499.133342
Nuclear repulsion energy	51.070268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3114	2974	25.62
2	A₁	1439	1375	23.56
3	A₁	750	716	25.22
4	E	3218	3074	9.96
4	E	3218	3074	9.96
5	E	1500	1433	3.93
5	E	1500	1433	3.93
6	E	1055	1008	1.96
6	E	1055	1008	1.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.135
Cl2	0.000	0.000	0.662
H3	0.000	1.029	-1.481
H4	0.891	-0.514	-1.481
H5	-0.891	-0.514	-1.481

	C1	Cl2	H3	H4	H5
C1		1.7963	1.0855	1.0855	1.0855
Cl2	1.7963		2.3766	2.3766	2.3766
H3	1.0855	2.3766		1.7822	1.7822
H4	1.0855	2.3766	1.7822		1.7822
H5	1.0855	2.3766	1.7822	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.586	Cl2	C1	H4	108.586
Cl2	C1	H5	108.586	H3	C1	H4	110.342
H3	C1	H5	110.342	H4	C1	H5	110.342

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

using model chemistry: QCISD/TZVP

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: QCISD/TZVP

States and conformations

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