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	hartrees
Energy at 0K	-1194.877613
Energy at 298.15K	-1194.881385
HF Energy	-1194.877613
Nuclear repulsion energy	378.979805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3313	3010	0.45
2	A	1556	1414	15.13
3	A	1432	1301	18.92
4	A	1249	1135	263.35
5	A	1163	1057	77.33
6	A	903	820	101.50
7	A	494	449	1.28
8	A	339	308	1.95
9	A	179	163	0.81
10	A	83	76	0.90
11	B	3325	3021	11.24
12	B	1489	1353	10.05
13	B	1353	1229	42.84
14	B	1217	1106	35.67
15	B	897	815	135.87
16	B	473	430	18.42
17	B	425	386	9.09
18	B	360	327	13.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.218	0.731	0.401
C2	0.218	-0.731	0.401
H3	-1.289	0.822	0.346
H4	1.289	-0.822	0.346
F5	0.218	1.287	1.534
F6	-0.218	-1.287	1.534
Cl7	0.486	1.607	-0.974
Cl8	-0.486	-1.607	-0.974

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5249	1.0762	2.1646	1.3355	2.3141	1.7758	2.7251
C2	1.5249		2.1646	1.0762	2.3141	1.3355	2.7251	1.7758
H3	1.0762	2.1646		3.0578	1.9744	2.6470	2.3470	2.8791
H4	2.1646	1.0762	3.0578		2.6470	1.9744	2.8791	2.3470
F5	1.3355	2.3141	1.9744	2.6470		2.6108	2.5425	3.8936
F6	2.3141	1.3355	2.6470	1.9744	2.6108		3.8936	2.5425
Cl7	1.7758	2.7251	2.3470	2.8791	2.5425	3.8936		3.3572
Cl8	2.7251	1.7758	2.8791	2.3470	3.8936	2.5425	3.3572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.479	C1	C2	F6	107.808
C1	C2	Cl8	111.067	C2	C1	H3	111.479
C2	C1	F5	107.808	C2	C1	Cl7	111.067
H3	C1	F5	109.428	H3	C1	Cl7	108.240
H4	C2	F6	109.428	H4	C2	Cl8	108.240
F5	C1	Cl7	108.778	F6	C2	Cl8	108.778

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

using model chemistry: HF/TZVP

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	0.219
2	C	0.219
3	H	0.127
4	H	0.127
5	F	-0.226
6	F	-0.226
7	Cl	-0.120
8	Cl	-0.120

	x	y	z	Total
	0.000	0.000	-0.500	0.500
CHELPG
AIM
ESP

	x	y	z
x	5.226	0.745	0.000
y	0.745	6.399	0.000
z	0.000	0.000	6.931

<r²>	245.501
(<r²>)^1/2	15.668