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	hartrees
Energy at 0K	-1181.360497
Energy at 298.15K	-1181.363575
HF Energy	-1181.197651
Nuclear repulsion energy	363.598676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3380	2947	0.22
2	A	1503	1310	7.89
3	A	1378	1202	38.24
4	A	1257	1096	69.07
5	A	1100	959	5.09
6	A	886	773	33.88
7	A	470	410	3.88
8	A	275	240	0.12
9	A	145	126	0.77
10	A	56	49	1.22
11	B	3385	2951	0.96
12	B	1445	1260	11.93
13	B	1301	1135	43.03
14	B	1263	1101	1.56
15	B	892	778	62.57
16	B	437	381	11.66
17	B	387	338	7.10
18	B	321	280	11.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.207	0.776	0.427
C2	0.207	-0.776	0.427
H3	-1.315	0.881	0.289
H4	1.315	-0.881	0.289
F5	0.207	1.367	1.610
F6	-0.207	-1.367	1.610
Cl7	0.588	1.618	-1.020
Cl8	-0.588	-1.618	-1.020

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.6069	1.1214	2.2543	1.3855	2.4479	1.8537	2.8238
C2	1.6069		2.2543	1.1214	2.4479	1.3855	2.8238	1.8537
H3	1.1214	2.2543		3.1655	2.0734	2.8325	2.4251	2.9132
H4	2.2543	1.1214	3.1655		2.8325	2.0734	2.9132	2.4251
F5	1.3855	2.4479	2.0734	2.8325		2.7650	2.6695	4.0573
F6	2.4479	1.3855	2.8325	2.0734	2.7650		4.0573	2.6695
Cl7	1.8537	2.8238	2.4251	2.9132	2.6695	4.0573		3.4436
Cl8	2.8238	1.8537	2.9132	2.4251	4.0573	2.6695	3.4436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.159	C1	C2	F6	109.556
C1	C2	Cl8	109.159	C2	C1	H3	110.159
C2	C1	F5	109.556	C2	C1	Cl7	109.159
H3	C1	F5	111.163	H3	C1	Cl7	106.589
H4	C2	F6	111.163	H4	C2	Cl8	106.589
F5	C1	Cl7	110.159	F6	C2	Cl8	110.159

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

using model chemistry: MP2/STO-3G

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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