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	hartrees
Energy at 0K	-499.562039
Energy at 298.15K	-499.565017
HF Energy	-499.154961
Nuclear repulsion energy	51.565193

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	3113	2957	21.34	149.94	0.00	0.00
2	A₁	1397	1326	10.66	0.05	0.01	0.03
3	A₁	770	732	23.56	16.17	0.15	0.26
4	E	3227	3065	2.05	47.41	0.75	0.86
4	E	3227	3065	2.05	47.41	0.75	0.86
5	E	1506	1431	5.93	3.79	0.75	0.86
5	E	1506	1431	5.93	3.79	0.75	0.86
6	E	1046	993	2.08	0.48	0.75	0.86
6	E	1046	993	2.08	0.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.121
Cl2	0.000	0.000	0.654
H3	0.000	1.027	-1.464
H4	0.889	-0.513	-1.464
H5	-0.889	-0.513	-1.464

	C1	Cl2	H3	H4	H5
C1		1.7750	1.0827	1.0827	1.0827
Cl2	1.7750		2.3538	2.3538	2.3538
H3	1.0827	2.3538		1.7787	1.7787
H4	1.0827	2.3538	1.7787		1.7787
H5	1.0827	2.3538	1.7787	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.464	Cl2	C1	H4	108.464
Cl2	C1	H5	108.464	H3	C1	H4	110.459
H3	C1	H5	110.459	H4	C1	H5	110.459

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

using model chemistry: MP2/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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