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	hartrees
Energy at 0K	-1195.042282
Energy at 298.15K	-1195.045701
HF Energy	-1194.577097
Nuclear repulsion energy	367.390896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	3072	0.90
2	A	1462	1371	1.37
3	A	1351	1267	24.64
4	A	1186	1112	34.33
5	A	1086	1018	153.29
6	A	817	766	75.49
7	A	440	412	1.58
8	A	309	289	2.02
9	A	164	153	1.41
10	A	78	73	1.21
11	B	3286	3082	1.98
12	B	1383	1297	8.43
13	B	1303	1222	29.17
14	B	1088	1021	12.38
15	B	802	752	117.51
16	B	419	392	20.00
17	B	376	353	13.46
18	B	336	315	18.40

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	0.717	0.414
C2	0.245	-0.717	0.414
H3	-1.325	0.798	0.395
H4	1.325	-0.798	0.395
F5	0.245	1.314	1.595
F6	-0.245	-1.314	1.595
Cl7	0.434	1.667	-1.014
Cl8	-0.434	-1.667	-1.014

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5161	1.0834	2.1822	1.4107	2.3495	1.8448	2.7862
C2	1.5161		2.1822	1.0834	2.3495	1.4107	2.7862	1.8448
H3	1.0834	2.1822		3.0938	2.0424	2.6584	2.4156	2.9762
H4	2.1822	1.0834	3.0938		2.6584	2.0424	2.9762	2.4156
F5	1.4107	2.3495	2.0424	2.6584		2.6729	2.6400	4.0195
F6	2.3495	1.4107	2.6584	2.0424	2.6729		4.0195	2.6400
Cl7	1.8448	2.7862	2.4156	2.9762	2.6400	4.0195		3.4455
Cl8	2.7862	1.8448	2.9762	2.4156	4.0195	2.6400	3.4455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.116	C1	C2	F6	106.731
C1	C2	Cl8	111.615	C2	C1	H3	113.116
C2	C1	F5	106.731	C2	C1	Cl7	111.615
H3	C1	F5	109.248	H3	C1	Cl7	108.346
H4	C2	F6	109.248	H4	C2	Cl8	108.346
F5	C1	Cl7	107.623	F6	C2	Cl8	107.623

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

using model chemistry: CISD/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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