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	hartrees
Energy at 0K	-796.523900
Energy at 298.15K
HF Energy	-795.699210
Nuclear repulsion energy	249.604993

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	1124	1071	522.99	1.15	0.68	0.81
2	A₁	787	750	36.61	4.50	0.00	0.00
3	A₁	483	460	0.07	5.21	0.36	0.53
4	E	1271	1210	339.86	0.36	0.75	0.86
4	E	1271	1210	339.86	0.36	0.75	0.86
5	E	567	540	3.09	1.46	0.75	0.86
5	E	567	540	3.09	1.46	0.75	0.86
6	E	354	337	0.08	1.62	0.75	0.86
6	E	354	337	0.08	1.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.352
Cl2	0.000	0.000	1.413
F3	0.000	1.250	-0.811
F4	1.082	-0.625	-0.811
F5	-1.082	-0.625	-0.811

	C1	Cl2	F3	F4	F5
C1		1.7647	1.3314	1.3314	1.3314
Cl2	1.7647		2.5509	2.5509	2.5509
F3	1.3314	2.5509		2.1645	2.1645
F4	1.3314	2.5509	2.1645		2.1645
F5	1.3314	2.5509	2.1645	2.1645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.171	Cl2	C1	F4	110.171
Cl2	C1	F5	110.171	F3	C1	F4	108.762
F3	C1	F5	108.762	F4	C1	F5	108.762

All results from a given calculation for CF₃Cl (Methane, chlorotrifluoro-)

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 CF3Cl (Methane, chlorotrifluoro-)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for CF₃Cl (Methane, chlorotrifluoro-)