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	hartrees
Energy at 0K	-1195.606529
Energy at 298.15K	-1195.610117
HF Energy	-1194.717126
Nuclear repulsion energy	377.494496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3005	0.89
2	A	1459	1370	7.94
3	A	1367	1283	27.29
4	A	1187	1114	130.32
5	A	1134	1064	104.01
6	A	882	828	72.34
7	A	475	446	0.53
8	A	323	303	1.36
9	A	169	158	0.68
10	A	86	81	0.75
11	B	3212	3015	11.70
12	B	1401	1315	9.80
13	B	1294	1215	26.97
14	B	1153	1082	21.68
15	B	874	821	107.09
16	B	444	417	12.58
17	B	400	376	9.45
18	B	348	326	13.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.231	0.726	0.390
C2	0.231	-0.726	0.390
H3	-1.318	0.793	0.364
H4	1.318	-0.793	0.364
F5	0.231	1.278	1.552
F6	-0.231	-1.278	1.552
Cl7	0.435	1.621	-0.981
Cl8	-0.435	-1.621	-0.981

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5229	1.0901	2.1696	1.3671	2.3166	1.7668	2.7249
C2	1.5229		2.1696	1.0901	2.3166	1.3671	2.7249	1.7668
H3	1.0901	2.1696		3.0772	2.0111	2.6237	2.3598	2.9011
H4	2.1696	1.0901	3.0772		2.6237	2.0111	2.9011	2.3598
F5	1.3671	2.3166	2.0111	2.6237		2.5976	2.5637	3.9065
F6	2.3166	1.3671	2.6237	2.0111	2.5976		3.9065	2.5637
Cl7	1.7668	2.7249	2.3598	2.9011	2.5637	3.9065		3.3564
Cl8	2.7249	1.7668	2.9011	2.3598	3.9065	2.5637	3.3564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.179	C1	C2	F6	106.435
C1	C2	Cl8	111.634	C2	C1	H3	111.179
C2	C1	F5	106.435	C2	C1	Cl7	111.634
H3	C1	F5	109.345	H3	C1	Cl7	109.071
H4	C2	F6	109.345	H4	C2	Cl8	109.071
F5	C1	Cl7	109.112	F6	C2	Cl8	109.112

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

using model chemistry: MP3/6-31G*

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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