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	hartrees
Energy at 0K	-1183.419871
Energy at 298.15K	-1183.422522
HF Energy	-1183.419871
Nuclear repulsion energy	356.384585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3151	2916	0.44
2	A	1377	1274	15.27
3	A	1249	1155	15.12
4	A	1189	1100	114.37
5	A	939	869	0.40
6	A	760	703	50.34
7	A	417	386	8.34
8	A	250	231	0.16
9	A	128	118	0.52
10	A	44	40	1.23
11	B	3159	2922	5.16
12	B	1344	1243	13.43
13	B	1191	1102	1.35
14	B	1180	1092	34.76
15	B	751	695	74.46
16	B	416	385	10.35
17	B	350	324	3.34
18	B	270	250	10.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.187	0.797	0.431
C2	0.187	-0.797	0.431
H3	-1.283	0.952	0.205
H4	1.283	-0.952	0.205
F5	0.187	1.378	1.638
F6	-0.187	-1.378	1.638
Cl7	0.749	1.611	-1.031
Cl8	-0.749	-1.611	-1.031

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.6364	1.1300	2.2953	1.3903	2.4865	1.9181	2.8725
C2	1.6364		2.2953	1.1300	2.4865	1.3903	2.8725	1.9181
H3	1.1300	2.2953		3.1950	2.0964	2.9461	2.4687	2.8948
H4	2.2953	1.1300	3.1950		2.9461	2.0964	2.8948	2.4687
F5	1.3903	2.4865	2.0964	2.9461		2.7805	2.7376	4.1148
F6	2.4865	1.3903	2.9461	2.0964	2.7805		4.1148	2.7376
Cl7	1.9181	2.8725	2.4687	2.8948	2.7376	4.1148		3.5533
Cl8	2.8725	1.9181	2.8948	2.4687	4.1148	2.7376	3.5533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.807	C1	C2	F6	110.211
C1	C2	Cl8	107.565	C2	C1	H3	110.807
C2	C1	F5	110.211	C2	C1	Cl7	107.565
H3	C1	F5	112.159	H3	C1	Cl7	105.229
H4	C2	F6	112.159	H4	C2	Cl8	105.229
F5	C1	Cl7	110.672	F6	C2	Cl8	110.672

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

using model chemistry: BLYP/STO-3G

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	0.069
2	C	0.069
3	H	0.116
4	H	0.116
5	F	-0.016
6	F	-0.016
7	Cl	-0.168
8	Cl	-0.168

	x	y	z	Total
	0.000	0.000	2.744	2.744
CHELPG
AIM
ESP

	x	y	z
x	2.623	0.981	0.000
y	0.981	3.438	0.000
z	0.000	0.000	4.832

<r²>	269.714
(<r²>)^1/2	16.423