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	hartrees
Energy at 0K	-1197.494204
Energy at 298.15K	-1197.497715
HF Energy	-1197.494204
Nuclear repulsion energy	376.911602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3152	3152	0.63
2	A	1431	1431	10.25
3	A	1328	1328	13.17
4	A	1144	1144	195.88
5	A	1084	1084	103.30
6	A	843	843	106.57
7	A	464	464	2.01
8	A	317	317	1.53
9	A	168	168	0.80
10	A	77	77	0.68
11	B	3163	3163	16.31
12	B	1374	1374	10.11
13	B	1260	1260	35.49
14	B	1108	1108	29.55
15	B	833	833	118.95
16	B	440	440	13.04
17	B	397	397	8.24
18	B	336	336	11.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.222	0.731	0.401
C2	0.222	-0.731	0.401
H3	-1.307	0.819	0.354
H4	1.307	-0.819	0.354
F5	0.222	1.294	1.550
F6	-0.222	-1.294	1.550
Cl7	0.472	1.608	-0.983
Cl8	-0.472	-1.608	-0.983

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5280	1.0893	2.1779	1.3550	2.3288	1.7797	2.7297
C2	1.5280		2.1779	1.0893	2.3288	1.3550	2.7297	1.7797
H3	1.0893	2.1779		3.0848	1.9989	2.6603	2.3607	2.8946
H4	2.1779	1.0893	3.0848		2.6603	1.9989	2.8946	2.3607
F5	1.3550	2.3288	1.9989	2.6603		2.6266	2.5652	3.9150
F6	2.3288	1.3550	2.6603	1.9989	2.6266		3.9150	2.5652
Cl7	1.7797	2.7297	2.3607	2.8946	2.5652	3.9150		3.3525
Cl8	2.7297	1.7797	2.8946	2.3607	3.9150	2.5652	3.3525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.535	C1	C2	F6	107.610
C1	C2	Cl8	111.004	C2	C1	H3	111.535
C2	C1	F5	107.610	C2	C1	Cl7	111.004
H3	C1	F5	109.247	H3	C1	Cl7	108.322
H4	C2	F6	109.247	H4	C2	Cl8	108.322
F5	C1	Cl7	109.086	F6	C2	Cl8	109.086

All results from a given calculation for CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR)

using model chemistry: wB97X-D/6-311G*

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	-0.042
2	C	-0.042
3	H	0.279
4	H	0.279
5	F	-0.202
6	F	-0.202
7	Cl	-0.034
8	Cl	-0.034

	x	y	z	Total
	0.000	0.000	-0.269	0.269
CHELPG
AIM
ESP

	x	y	z
x	4.924	0.786	0.000
y	0.786	6.405	0.000
z	0.000	0.000	7.036

<r²>	247.061
(<r²>)^1/2	15.718