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	hartrees
Energy at 0K	-1196.145152
Energy at 298.15K	-1196.148744
HF Energy	-1194.904757
Nuclear repulsion energy	378.917794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3181	3005	0.22
2	A	1443	1363	12.85
3	A	1328	1255	8.91
4	A	1189	1124	190.46
5	A	1113	1052	76.64
6	A	863	815	70.81
7	A	473	446	0.56
8	A	319	302	1.35
9	A	169	160	0.49
10	A	81	77	0.62
11	B	3192	3016	8.94
12	B	1380	1304	5.84
13	B	1262	1192	26.47
14	B	1157	1093	27.33
15	B	860	813	93.83
16	B	446	421	11.67
17	B	401	379	7.28
18	B	338	319	11.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.221	0.729	0.400
C2	0.221	-0.729	0.400
H3	-1.301	0.811	0.348
H4	1.301	-0.811	0.348
F5	0.221	1.294	1.544
F6	-0.221	-1.294	1.544
Cl7	0.476	1.590	-0.979
Cl8	-0.476	-1.590	-0.979

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5241	1.0841	2.1657	1.3502	2.3245	1.7689	2.7105
C2	1.5241		2.1657	1.0841	2.3245	1.3502	2.7105	1.7689
H3	1.0841	2.1657		3.0655	1.9950	2.6512	2.3502	2.8645
H4	2.1657	1.0841	3.0655		2.6512	1.9950	2.8645	2.3502
F5	1.3502	2.3245	1.9950	2.6512		2.6257	2.5538	3.8951
F6	2.3245	1.3502	2.6512	1.9950	2.6257		3.8951	2.5538
Cl7	1.7689	2.7105	2.3502	2.8645	2.5538	3.8951		3.3189
Cl8	2.7105	1.7689	2.8645	2.3502	3.8951	2.5538	3.3189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.140	C1	C2	F6	107.791
C1	C2	Cl8	110.576	C2	C1	H3	111.140
C2	C1	F5	107.791	C2	C1	Cl7	110.576
H3	C1	F5	109.594	H3	C1	Cl7	108.531
H4	C2	F6	109.594	H4	C2	Cl8	108.531
F5	C1	Cl7	109.187	F6	C2	Cl8	109.187

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

using model chemistry: MP3/cc-pVTZ

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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