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	hartrees
Energy at 0K	-496.829820
Energy at 298.15K	-496.832740
HF Energy	-496.689040
Nuclear repulsion energy	48.959332

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	3155	3011	10.74	88.92	0.02	0.04
2	A₁	1427	1362	15.57	0.38	0.72	0.84
3	A₁	643	614	24.90	25.41	0.34	0.51
4	E	3271	3122	2.70	48.86	0.75	0.86
4	E	3271	3122	2.70	48.86	0.75	0.86
5	E	1575	1503	8.07	19.00	0.75	0.86
5	E	1575	1503	8.07	19.00	0.75	0.86
6	E	1030	983	4.23	11.51	0.75	0.86
6	E	1030	983	4.23	11.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.212
Cl2	0.000	0.000	0.696
H3	0.000	1.041	-1.521
H4	0.902	-0.521	-1.521
H5	-0.902	-0.521	-1.521

	C1	Cl2	H3	H4	H5
C1		1.9079	1.0860	1.0860	1.0860
Cl2	1.9079		2.4495	2.4495	2.4495
H3	1.0860	2.4495		1.8031	1.8031
H4	1.0860	2.4495	1.8031		1.8031
H5	1.0860	2.4495	1.8031	1.8031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	106.550	Cl2	C1	H4	106.550
Cl2	C1	H5	106.550	H3	C1	H4	112.228
H3	C1	H5	112.228	H4	C1	H5	112.228

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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