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	hartrees
Energy at 0K	-1195.969087
Energy at 298.15K	-1195.972699
HF Energy	-1194.746714
Nuclear repulsion energy	380.340322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3199	0.57
2	A	1459	1459	12.59
3	A	1344	1344	12.19
4	A	1209	1209	184.27
5	A	1132	1132	60.65
6	A	873	873	65.52
7	A	477	477	0.70
8	A	321	321	1.24
9	A	170	170	0.51
10	A	84	84	0.66
11	B	3210	3210	8.38
12	B	1399	1399	6.60
13	B	1273	1273	27.45
14	B	1180	1180	20.54
15	B	870	870	96.06
16	B	447	447	10.55
17	B	403	403	7.01
18	B	344	344	11.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.220	0.728	0.395
C2	0.220	-0.728	0.395
H3	-1.302	0.804	0.340
H4	1.302	-0.804	0.340
F5	0.220	1.276	1.539
F6	-0.220	-1.276	1.539
Cl7	0.478	1.590	-0.974
Cl8	-0.478	-1.590	-0.974

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5209	1.0862	2.1609	1.3429	2.3075	1.7623	2.7044
C2	1.5209		2.1609	1.0862	2.3075	1.3429	2.7044	1.7623
H3	1.0862	2.1609		3.0615	1.9947	2.6338	2.3482	2.8530
H4	2.1609	1.0862	3.0615		2.6338	1.9947	2.8530	2.3482
F5	1.3429	2.3075	1.9947	2.6338		2.5902	2.5457	3.8754
F6	2.3075	1.3429	2.6338	1.9947	2.5902		3.8754	2.5457
Cl7	1.7623	2.7044	2.3482	2.8530	2.5457	3.8754		3.3206
Cl8	2.7044	1.7623	2.8530	2.3482	3.8754	2.5457	3.3206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.856	C1	C2	F6	107.201
C1	C2	Cl8	110.699	C2	C1	H3	110.856
C2	C1	F5	107.201	C2	C1	Cl7	110.699
H3	C1	F5	109.957	H3	C1	Cl7	108.722
H4	C2	F6	109.957	H4	C2	Cl8	108.722
F5	C1	Cl7	109.390	F6	C2	Cl8	109.390

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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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