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	hartrees
Energy at 0K	-1396.230802
Energy at 298.15K	-1396.232854
HF Energy	-1396.230802
Nuclear repulsion energy	612.244131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1262	1221	134.34
2	A'	1210	1171	251.80
3	A'	1099	1063	125.26
4	A'	924	894	109.86
5	A'	728	704	41.11
6	A'	583	564	3.04
7	A'	496	480	2.15
8	A'	392	380	0.03
9	A'	306	296	0.53
10	A'	260	252	0.17
11	A'	195	189	0.76
12	A"	1192	1153	194.90
13	A"	859	832	240.84
14	A"	549	531	8.30
15	A"	389	376	0.26
16	A"	326	316	1.14
17	A"	176	170	0.71
18	A"	72	70	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.400	-0.335	0.000
C2	-0.356	1.040	0.000
F3	1.720	-0.072	0.000
Cl4	-0.013	-1.254	1.463
Cl5	-0.013	-1.254	-1.463
F6	-1.675	0.862	0.000
F7	-0.013	1.738	1.082
F8	-0.013	1.738	-1.082

	C1	C2	F3	Cl4	Cl5	F6	F7	F8
C1		1.5686	1.3468	1.7757	1.7757	2.3948	2.3745	2.3745
C2	1.5686		2.3555	2.7415	2.7415	1.3304	1.3326	1.3326
F3	1.3468	2.3555		2.5573	2.5573	3.5213	2.7298	2.7298
Cl4	1.7757	2.7415	2.5573		2.9251	3.0621	3.0161	3.9274
Cl5	1.7757	2.7415	2.5573	2.9251		3.0621	3.9274	3.0161
F6	2.3948	1.3304	3.5213	3.0621	3.0621		2.1678	2.1678
F7	2.3745	1.3326	2.7298	3.0161	3.9274	2.1678		2.1633
F8	2.3745	1.3326	2.7298	3.9274	3.0161	2.1678	2.1633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.127	C1	C2	F7	109.591
C1	C2	F8	109.591	C2	C1	F3	107.549
C2	C1	Cl4	109.965	C2	C1	Cl5	109.965
F3	C1	Cl4	109.196	F3	C1	Cl5	109.196
Cl4	C1	Cl5	110.898	F6	C2	F7	108.983
F6	C2	F8	108.983	F7	C2	F8	108.518

All results from a given calculation for CF₃CFCl₂ (1,1-Dichlorotetrafluoroethane)

using model chemistry: B3LYP/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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All results from a given calculation for CF3CFCl2 (1,1-Dichlorotetrafluoroethane)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CF₃CFCl₂ (1,1-Dichlorotetrafluoroethane)