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	hartrees
Energy at 0K	-1194.904400
Energy at 298.15K	-1194.908164
HF Energy	-1194.904400
Nuclear repulsion energy	380.306153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3296	2988	0.47
2	A	1547	1402	11.25
3	A	1424	1291	15.72
4	A	1249	1132	241.48
5	A	1164	1055	79.33
6	A	905	820	97.39
7	A	496	449	1.03
8	A	338	307	1.75
9	A	178	162	0.52
10	A	84	76	0.77
11	B	3309	3000	12.55
12	B	1478	1339	9.37
13	B	1351	1225	34.98
14	B	1215	1101	33.76
15	B	899	815	126.75
16	B	473	429	14.56
17	B	425	385	8.03
18	B	361	327	12.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.242	0.720	0.411
C2	0.242	-0.720	0.411
H3	-1.310	0.807	0.426
H4	1.310	-0.807	0.426
F5	0.242	1.305	1.516
F6	-0.242	-1.305	1.516
Cl7	0.356	1.648	-0.973
Cl8	-0.356	-1.648	-0.973

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5196	1.0717	2.1771	1.3400	2.3067	1.7704	2.7457
C2	1.5196		2.1771	1.0717	2.3067	1.3400	2.7457	1.7704
H3	1.0717	2.1771		3.0768	1.9604	2.6052	2.3326	2.9822
H4	2.1771	1.0717	3.0768		2.6052	1.9604	2.9822	2.3326
F5	1.3400	2.3067	1.9604	2.6052		2.6536	2.5151	3.9079
F6	2.3067	1.3400	2.6052	1.9604	2.6536		3.9079	2.5151
Cl7	1.7704	2.7457	2.3326	2.9822	2.5151	3.9079		3.3727
Cl8	2.7457	1.7704	2.9822	2.3326	3.9079	2.5151	3.3727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.174	C1	C2	F6	107.375
C1	C2	Cl8	112.921	C2	C1	H3	113.174
C2	C1	F5	107.375	C2	C1	Cl7	112.921
H3	C1	F5	108.235	H3	C1	Cl7	107.768
H4	C2	F6	108.235	H4	C2	Cl8	107.768
F5	C1	Cl7	107.109	F6	C2	Cl8	107.109

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

using model chemistry: HF/Def2TZVPP

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	0.289
2	C	0.289
3	H	0.066
4	H	0.066
5	F	-0.242
6	F	-0.242
7	Cl	-0.113
8	Cl	-0.113

	x	y	z	Total
	0.000	0.000	-0.437	0.437
CHELPG
AIM
ESP

	x	y	z
x	5.789	0.694	0.000
y	0.694	7.140	0.000
z	0.000	0.000	7.356

<r²>	243.661
(<r²>)^1/2	15.610