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	hartrees
Energy at 0K	-1195.102657
Energy at 298.15K	-1195.105938
HF Energy	-1194.574254
Nuclear repulsion energy	364.458901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3216	3056	0.89
2	A	1420	1349	0.20
3	A	1319	1253	21.23
4	A	1150	1093	17.12
5	A	1028	977	145.64
6	A	787	748	75.99
7	A	421	400	1.94
8	A	298	283	1.77
9	A	159	151	1.33
10	A	76	73	1.04
11	B	3228	3067	2.86
12	B	1346	1279	8.34
13	B	1271	1208	25.28
14	B	1024	973	10.21
15	B	768	730	104.77
16	B	403	383	17.68
17	B	360	342	13.52
18	B	325	308	15.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	0.718	0.419
C2	0.249	-0.718	0.419
H3	-1.334	0.799	0.402
H4	1.334	-0.799	0.402
F5	0.249	1.325	1.614
F6	-0.249	-1.325	1.614
Cl7	0.428	1.675	-1.026
Cl8	-0.428	-1.675	-1.026

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5200	1.0890	2.1928	1.4293	2.3670	1.8603	2.8014
C2	1.5200		2.1928	1.0890	2.3670	1.4293	2.8014	1.8603
H3	1.0890	2.1928		3.1108	2.0619	2.6759	2.4314	2.9970
H4	2.1928	1.0890	3.1108		2.6759	2.0619	2.9970	2.4314
F5	1.4293	2.3670	2.0619	2.6759		2.6966	2.6685	4.0530
F6	2.3670	1.4293	2.6759	2.0619	2.6966		4.0530	2.6685
Cl7	1.8603	2.8014	2.4314	2.9970	2.6685	4.0530		3.4582
Cl8	2.8014	1.8603	2.9970	2.4314	4.0530	2.6685	3.4582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.349	C1	C2	F6	106.710
C1	C2	Cl8	111.542	C2	C1	H3	113.349
C2	C1	F5	106.710	C2	C1	Cl7	111.542
H3	C1	F5	109.178	H3	C1	Cl7	108.192
H4	C2	F6	109.178	H4	C2	Cl8	108.192
F5	C1	Cl7	107.704	F6	C2	Cl8	107.704

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

using model chemistry: MP2=FULL/6-31G

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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