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	hartrees
Energy at 0K	-1195.655825
Energy at 298.15K	-1195.659552
HF Energy	-1194.840676
Nuclear repulsion energy	380.132992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3278	3045	0.74
2	A	1515	1407	13.78
3	A	1410	1310	21.60
4	A	1225	1138	196.63
5	A	1157	1075	104.20
6	A	905	841	87.87
7	A	493	458	0.63
8	A	335	311	1.73
9	A	178	165	0.83
10	A	87	81	0.76
11	B	3289	3055	15.69
12	B	1450	1347	13.51
13	B	1333	1238	35.77
14	B	1189	1105	29.03
15	B	899	835	123.11
16	B	462	429	14.47
17	B	420	391	9.03
18	B	355	330	13.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.222	0.726	0.394
C2	0.222	-0.726	0.394
H3	-1.300	0.804	0.358
H4	1.300	-0.804	0.358
F5	0.222	1.282	1.536
F6	-0.222	-1.282	1.536
Cl7	0.455	1.602	-0.974
Cl8	-0.455	-1.602	-0.974

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5188	1.0815	2.1587	1.3457	2.3104	1.7592	2.7100
C2	1.5188		2.1587	1.0815	2.3104	1.3457	2.7100	1.7592
H3	1.0815	2.1587		3.0574	1.9832	2.6272	2.3429	2.8769
H4	2.1587	1.0815	3.0574		2.6272	1.9832	2.8769	2.3429
F5	1.3457	2.3104	1.9832	2.6272		2.6020	2.5409	3.8824
F6	2.3104	1.3457	2.6272	1.9832	2.6020		3.8824	2.5409
Cl7	1.7592	2.7100	2.3429	2.8769	2.5409	3.8824		3.3300
Cl8	2.7100	1.7592	2.8769	2.3429	3.8824	2.5409	3.3300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.119	C1	C2	F6	107.366
C1	C2	Cl8	111.313	C2	C1	H3	111.119
C2	C1	F5	107.366	C2	C1	Cl7	111.313
H3	C1	F5	109.102	H3	C1	Cl7	108.775
H4	C2	F6	109.102	H4	C2	Cl8	108.775
F5	C1	Cl7	109.118	F6	C2	Cl8	109.118

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

using model chemistry: CID/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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