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	hartrees
Energy at 0K	-795.841493
Energy at 298.15K
HF Energy	-795.841493
Nuclear repulsion energy	254.102234

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	1230	1119	546.60	3.30	0.46	0.63
2	A₁	864	787	44.59	8.75	0.02	0.04
3	A₁	515	469	0.03	5.66	0.23	0.37
4	E	1386	1262	315.87	1.45	0.75	0.86
4	E	1386	1262	315.87	1.45	0.75	0.86
5	E	617	561	3.20	0.51	0.75	0.86
5	E	617	561	3.20	0.51	0.75	0.86
6	E	380	346	0.02	0.59	0.75	0.86
6	E	380	346	0.02	0.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.354
Cl2	0.000	0.000	1.400
F3	0.000	1.220	-0.803
F4	1.056	-0.610	-0.803
F5	-1.056	-0.610	-0.803

	C1	Cl2	F3	F4	F5
C1		1.7532	1.2997	1.2997	1.2997
Cl2	1.7532		2.5173	2.5173	2.5173
F3	1.2997	2.5173		2.1126	2.1126
F4	1.2997	2.5173	2.1126		2.1126
F5	1.2997	2.5173	2.1126	2.1126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.204	Cl2	C1	F4	110.204
Cl2	C1	F5	110.204	F3	C1	F4	108.728
F3	C1	F5	108.728	F4	C1	F5	108.728

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

using model chemistry: HF/aug-cc-pVTZ

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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Number	Element	Mulliken
1	C	1.097
2	Cl	-0.160
3	F	-0.312
4	F	-0.312
5	F	-0.312

	x	y	z	Total
	0.000	0.000	0.372	0.372
CHELPG
AIM
ESP

<r²>	112.184
(<r²>)^1/2	10.592