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	hartrees
Energy at 0K	-499.403153
Energy at 298.15K	-499.406129
HF Energy	-499.117483
Nuclear repulsion energy	51.137210

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	3118	2970	24.39	126.03	0.01	0.02
2	A₁	1391	1325	16.04	1.72	0.41	0.58
3	A₁	775	738	23.38	14.04	0.30	0.46
4	E	3239	3086	5.51	62.22	0.75	0.86
4	E	3239	3086	5.51	62.22	0.75	0.86
5	E	1487	1416	5.02	12.77	0.75	0.86
5	E	1487	1416	5.02	12.77	0.75	0.86
6	E	1039	990	2.95	4.80	0.75	0.86
6	E	1039	990	2.95	4.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.126
Cl2	0.000	0.000	0.659
H3	0.000	1.039	-1.480
H4	0.900	-0.520	-1.480
H5	-0.900	-0.520	-1.480

	C1	Cl2	H3	H4	H5
C1		1.7853	1.0981	1.0981	1.0981
Cl2	1.7853		2.3784	2.3784	2.3784
H3	1.0981	2.3784		1.8005	1.8005
H4	1.0981	2.3784	1.8005		1.8005
H5	1.0981	2.3784	1.8005	1.8005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.806	Cl2	C1	H4	108.806
Cl2	C1	H5	108.806	H3	C1	H4	110.128
H3	C1	H5	110.128	H4	C1	H5	110.128

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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