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	hartrees
Energy at 0K	-1195.835443
Energy at 298.15K	-1195.839033
HF Energy	-1194.839487
Nuclear repulsion energy	377.504871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3151	3017	0.66
2	A	1449	1387	9.95
3	A	1356	1298	19.35
4	A	1168	1119	134.77
5	A	1108	1061	129.36
6	A	870	833	83.12
7	A	473	453	0.61
8	A	322	308	1.53
9	A	172	165	0.78
10	A	84	81	0.64
11	B	3162	3027	16.63
12	B	1391	1332	12.24
13	B	1282	1228	31.02
14	B	1125	1077	23.80
15	B	862	825	108.47
16	B	444	425	13.23
17	B	403	386	8.52
18	B	342	327	11.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.224	0.730	0.396
C2	0.224	-0.730	0.396
H3	-1.313	0.806	0.362
H4	1.313	-0.806	0.362
F5	0.224	1.293	1.551
F6	-0.224	-1.293	1.551
Cl7	0.457	1.605	-0.982
Cl8	-0.457	-1.605	-0.982

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5266	1.0917	2.1734	1.3610	2.3289	1.7698	2.7217
C2	1.5266		2.1734	1.0917	2.3289	1.3610	2.7217	1.7698
H3	1.0917	2.1734		3.0815	2.0037	2.6469	2.3615	2.8909
H4	2.1734	1.0917	3.0815		2.6469	2.0037	2.8909	2.3615
F5	1.3610	2.3289	2.0037	2.6469		2.6243	2.5635	3.9094
F6	2.3289	1.3610	2.6469	2.0037	2.6243		3.9094	2.5635
Cl7	1.7698	2.7217	2.3615	2.8909	2.5635	3.9094		3.3382
Cl8	2.7217	1.7698	2.8909	2.3615	3.9094	2.5635	3.3382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.121	C1	C2	F6	107.373
C1	C2	Cl8	111.092	C2	C1	H3	111.121
C2	C1	F5	107.373	C2	C1	Cl7	111.092
H3	C1	F5	109.062	H3	C1	Cl7	108.914
H4	C2	F6	109.062	H4	C2	Cl8	108.914
F5	C1	Cl7	109.233	F6	C2	Cl8	109.233

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

using model chemistry: QCISD/6-311G*

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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