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	hartrees
Energy at 0K	-1195.626055
Energy at 298.15K	-1195.629611
HF Energy	-1194.734098
Nuclear repulsion energy	377.343583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3023	0.12
2	A	1425	1341	2.49
3	A	1339	1259	23.55
4	A	1157	1089	46.22
5	A	1080	1016	216.50
6	A	875	823	87.99
7	A	474	445	0.11
8	A	316	297	1.28
9	A	169	159	0.56
10	A	86	80	0.62
11	B	3225	3034	7.37
12	B	1363	1282	10.87
13	B	1283	1207	21.50
14	B	1076	1012	25.96
15	B	868	817	97.60
16	B	436	410	11.23
17	B	396	373	9.78
18	B	344	324	12.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	0.724	0.391
C2	0.235	-0.724	0.391
H3	-1.320	0.791	0.387
H4	1.320	-0.791	0.387
F5	0.235	1.300	1.557
F6	-0.235	-1.300	1.557
Cl7	0.413	1.608	-0.985
Cl8	-0.413	-1.608	-0.985

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5222	1.0877	2.1709	1.3824	2.3354	1.7589	2.7132
C2	1.5222		2.1709	1.0877	2.3354	1.3824	2.7132	1.7589
H3	1.0877	2.1709		3.0781	2.0116	2.6299	2.3570	2.9080
H4	2.1709	1.0877	3.0781		2.6299	2.0116	2.9080	2.3570
F5	1.3824	2.3354	2.0116	2.6299		2.6414	2.5664	3.9157
F6	2.3354	1.3824	2.6299	2.0116	2.6414		3.9157	2.5664
Cl7	1.7589	2.7132	2.3570	2.9080	2.5664	3.9157		3.3199
Cl8	2.7132	1.7589	2.9080	2.3570	3.9157	2.5664	3.3199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.483	C1	C2	F6	106.934
C1	C2	Cl8	111.360	C2	C1	H3	111.483
C2	C1	F5	106.934	C2	C1	Cl7	111.360
H3	C1	F5	108.466	H3	C1	Cl7	109.519
H4	C2	F6	108.466	H4	C2	Cl8	109.519
F5	C1	Cl7	108.977	F6	C2	Cl8	108.977

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

using model chemistry: MP2/6-31+G**

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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