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	hartrees
Energy at 0K	-1756.395835
Energy at 298.15K	-1756.397391
HF Energy	-1756.395835
Nuclear repulsion energy	696.458388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1142	1127	59.20
2	A	1114	1100	202.78
3	A	1062	1049	148.84
4	A	966	954	82.33
5	A	828	818	152.29
6	A	752	743	315.62
7	A	633	624	9.99
8	A	516	509	1.97
9	A	437	432	1.68
10	A	416	410	0.27
11	A	377	372	0.54
12	A	341	336	0.02
13	A	305	301	0.75
14	A	279	276	0.06
15	A	233	230	0.04
16	A	196	193	0.48
17	A	159	157	0.42
18	A	70	69	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.586	0.150	0.312
C2	-0.734	-0.535	-0.220
F3	0.492	0.255	1.653
Cl4	1.980	-0.885	-0.085
Cl5	0.787	1.764	-0.394
Cl6	-2.177	0.407	0.223
F7	-0.674	-0.666	-1.554
F8	-0.833	-1.761	0.323

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5793	1.3487	1.7812	1.7734	2.7760	2.3949	2.3800
C2	1.5793		2.3748	2.7399	2.7619	1.7789	1.3418	1.3451
F3	1.3487	2.3748		2.5568	2.5601	3.0321	3.5353	2.7554
Cl4	1.7812	2.7399	2.5568		2.9219	4.3638	3.0411	2.9743
Cl5	1.7734	2.7619	2.5601	2.9219		3.3175	3.0635	3.9453
Cl6	2.7760	1.7789	3.0321	4.3638	3.3175		2.5630	2.5526
F7	2.3949	1.3418	3.5353	3.0411	3.0635	2.5630		2.1796
F8	2.3800	1.3451	2.7554	2.9743	3.9453	2.5526	2.1796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.486	C1	C2	F7	109.352
C1	C2	F8	109.239	C2	C1	F3	104.870
C2	C1	Cl4	107.083	C2	C1	Cl5	113.503
F3	C1	Cl4	106.869	F3	C1	Cl5	111.381
Cl4	C1	Cl5	112.607	Cl6	C2	F7	109.087
Cl6	C2	F8	108.784	F7	C2	F8	107.779

All results from a given calculation for CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.756
2	C	0.985
3	F	-0.284
4	Cl	-0.325
5	Cl	-0.323
6	Cl	-0.173
7	F	-0.313
8	F	-0.324

	x	y	z	Total
	0.101	0.358	-0.146	0.399
CHELPG
AIM
ESP

	x	y	z
x	12.200	-1.068	-0.542
y	-1.068	11.193	-0.226
z	-0.542	-0.226	8.979

<r²>	370.231
(<r²>)^1/2	19.241

All results from a given calculation for CF2ClCFCl2 (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)