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	hartrees
Energy at 0K	-1197.482741
Energy at 298.15K	-1197.485945
HF Energy	-1197.482741
Nuclear repulsion energy	369.497622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3051	3045	0.02
2	A	1318	1315	1.90
3	A	1215	1212	6.12
4	A	1046	1044	58.36
5	A	979	977	201.09
6	A	760	759	118.63
7	A	423	422	2.41
8	A	294	294	1.04
9	A	156	156	0.31
10	A	69	68	0.55
11	B	3062	3056	6.15
12	B	1262	1260	4.50
13	B	1167	1164	22.60
14	B	969	968	31.88
15	B	747	745	92.20
16	B	409	408	10.96
17	B	359	358	7.32
18	B	312	312	7.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.227	0.738	0.404
C2	0.227	-0.738	0.404
H3	-1.323	0.843	0.354
H4	1.323	-0.843	0.354
F5	0.227	1.323	1.585
F6	-0.227	-1.323	1.585
Cl7	0.494	1.634	-1.002
Cl8	-0.494	-1.634	-1.002

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5436	1.1020	2.2143	1.3937	2.3749	1.8169	2.7702
C2	1.5436		2.2143	1.1020	2.3749	1.3937	2.7702	1.8169
H3	1.1020	2.2143		3.1373	2.0360	2.7216	2.4013	2.9435
H4	2.2143	1.1020	3.1373		2.7216	2.0360	2.9435	2.4013
F5	1.3937	2.3749	2.0360	2.7216		2.6846	2.6195	3.9945
F6	2.3749	1.3937	2.7216	2.0360	2.6846		3.9945	2.6195
Cl7	1.8169	2.7702	2.4013	2.9435	2.6195	3.9945		3.4138
Cl8	2.7702	1.8169	2.9435	2.4013	3.9945	2.6195	3.4138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.577	C1	C2	F6	107.796
C1	C2	Cl8	110.780	C2	C1	H3	112.577
C2	C1	F5	107.796	C2	C1	Cl7	110.780
H3	C1	F5	108.774	H3	C1	Cl7	108.200
H4	C2	F6	108.774	H4	C2	Cl8	108.200
F5	C1	Cl7	108.629	F6	C2	Cl8	108.629

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

using model chemistry: BLYP/aug-cc-pVDZ

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	0.730
2	C	0.730
3	H	-0.291
4	H	-0.291
5	F	-0.390
6	F	-0.390
7	Cl	-0.050
8	Cl	-0.050

	x	y	z	Total
	0.000	0.000	-0.467	0.467
CHELPG
AIM
ESP

	x	y	z
x	7.450	0.798	0.000
y	0.798	9.481	0.000
z	0.000	0.000	9.567

<r²>	255.838
(<r²>)^1/2	15.995