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	hartrees
Energy at 0K	-1195.726075
Energy at 298.15K	-1195.729638
HF Energy	-1194.776992
Nuclear repulsion energy	376.396775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3160	3023	0.84
2	A	1430	1369	15.77
3	A	1317	1260	16.24
4	A	1176	1126	170.89
5	A	1108	1060	97.30
6	A	861	824	65.60
7	A	469	449	0.46
8	A	317	304	1.32
9	A	168	161	0.78
10	A	82	79	0.64
11	B	3170	3033	16.30
12	B	1365	1306	6.06
13	B	1245	1191	33.14
14	B	1141	1092	27.18
15	B	857	820	99.73
16	B	438	419	12.22
17	B	398	381	8.15
18	B	339	325	12.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.225	0.732	0.402
C2	0.225	-0.732	0.402
H3	-1.323	0.806	0.361
H4	1.323	-0.806	0.361
F5	0.225	1.298	1.556
F6	-0.225	-1.298	1.556
Cl7	0.457	1.608	-0.987
Cl8	-0.457	-1.608	-0.987

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5324	1.1007	2.1829	1.3619	2.3352	1.7773	2.7305
C2	1.5324		2.1829	1.1007	2.3352	1.3619	2.7305	1.7773
H3	1.1007	2.1829		3.0981	2.0164	2.6565	2.3722	2.8968
H4	2.1829	1.1007	3.0981		2.6565	2.0164	2.8968	2.3722
F5	1.3619	2.3352	2.0164	2.6565		2.6345	2.5714	3.9204
F6	2.3352	1.3619	2.6565	2.0164	2.6345		3.9204	2.5714
Cl7	1.7773	2.7305	2.3722	2.8968	2.5714	3.9204		3.3426
Cl8	2.7305	1.7773	2.8968	2.3722	3.9204	2.5714	3.3426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.933	C1	C2	F6	107.429
C1	C2	Cl8	110.962	C2	C1	H3	110.933
C2	C1	F5	107.429	C2	C1	Cl7	110.962
H3	C1	F5	109.473	H3	C1	Cl7	108.735
H4	C2	F6	109.473	H4	C2	Cl8	108.735
F5	C1	Cl7	109.282	F6	C2	Cl8	109.282

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

using model chemistry: CCD/cc-pVDZ

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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