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	hartrees
Energy at 0K	-1293.825054
Energy at 298.15K	-1293.828304
HF Energy	-1293.825054
Nuclear repulsion energy	495.310943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3000	4.30
2	A'	1488	1346	100.87
3	A'	1427	1291	217.56
4	A'	1285	1162	194.18
5	A'	959	868	23.83
6	A'	832	753	20.47
7	A'	738	668	36.75
8	A'	577	522	7.55
9	A'	408	369	0.76
10	A'	283	256	0.60
11	A'	228	206	0.82
12	A"	1373	1242	65.28
13	A"	1347	1219	188.87
14	A"	921	834	130.51
15	A"	614	556	6.14
16	A"	390	352	0.06
17	A"	199	180	1.37
18	A"	79	72	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.561	-0.335	0.000
C2	-0.169	1.009	0.000
H3	1.617	-0.140	0.000
Cl4	0.178	-1.247	1.459
Cl5	0.178	-1.247	-1.459
F6	-1.467	0.877	0.000
F7	0.178	1.701	1.058
F8	0.178	1.701	-1.058

	C1	C2	H3	Cl4	Cl5	F6	F7	F8
C1		1.5300	1.0737	1.7627	1.7627	2.3622	2.3265	2.3265
C2	1.5300		2.1239	2.7093	2.7093	1.3041	1.3110	1.3110
H3	1.0737	2.1239		2.3293	2.3293	3.2467	2.5652	2.5652
Cl4	1.7627	2.7093	2.3293		2.9175	3.0565	2.9753	3.8765
Cl5	1.7627	2.7093	2.3293	2.9175		3.0565	3.8765	2.9753
F6	2.3622	1.3041	3.2467	3.0565	3.0565		2.1220	2.1220
F7	2.3265	1.3110	2.5652	2.9753	3.8765	2.1220		2.1166
F8	2.3265	1.3110	2.5652	3.8765	2.9753	2.1220	2.1166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	112.671	C1	C2	F7	109.715
C1	C2	F8	109.715	C2	C1	H3	108.035
C2	C1	Cl4	110.540	C2	C1	Cl5	110.540
H3	C1	Cl4	107.941	H3	C1	Cl5	107.941
Cl4	C1	Cl5	111.702	F6	C2	F7	108.471
F6	C2	F8	108.471	F7	C2	F8	107.661

All results from a given calculation for CF₃CHCl₂ (1,1-Dichloro-2,2,2-trifluoroethane)

using model chemistry: HF/daug-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	0.170
2	C	2.580
3	H	0.658
4	Cl	-0.608
5	Cl	-0.608
6	F	-0.662
7	F	-0.765
8	F	-0.765

	x	y	z	Total
	1.377	-0.275	0.000	1.404
CHELPG
AIM
ESP

	x	y	z
x	6.463	0.054	0.000
y	0.054	7.613	0.000
z	0.000	0.000	8.967

<r²>	269.596
(<r²>)^1/2	16.419

All results from a given calculation for CF3CHCl2 (1,1-Dichloro-2,2,2-trifluoroethane)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHCl₂ (1,1-Dichloro-2,2,2-trifluoroethane)