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	hartrees
Energy at 0K	-499.944215
Energy at 298.15K	-499.947182
HF Energy	-499.833053
Nuclear repulsion energy	51.095726

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	3107	3107	28.86	116.20	0.01	0.01
2	A₁	1430	1430	16.93	2.57	0.60	0.75
3	A₁	733	733	29.08	15.87	0.32	0.49
4	E	3210	3210	8.84	60.97	0.75	0.86
4	E	3210	3210	8.84	60.97	0.75	0.86
5	E	1515	1515	6.30	12.74	0.75	0.86
5	E	1515	1515	6.30	12.74	0.75	0.86
6	E	1060	1060	6.93	5.49	0.75	0.86
6	E	1060	1060	6.93	5.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.134
Cl2	0.000	0.000	0.661
H3	0.000	1.029	-1.479
H4	0.891	-0.515	-1.479
H5	-0.891	-0.515	-1.479

	C1	Cl2	H3	H4	H5
C1		1.7954	1.0853	1.0853	1.0853
Cl2	1.7954		2.3745	2.3745	2.3745
H3	1.0853	2.3745		1.7827	1.7827
H4	1.0853	2.3745	1.7827		1.7827
H5	1.0853	2.3745	1.7827	1.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.500	Cl2	C1	H4	108.500
Cl2	C1	H5	108.500	H3	C1	H4	110.425
H3	C1	H5	110.425	H4	C1	H5	110.425

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

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

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