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	hartrees
Energy at 0K	-1195.456470
Energy at 298.15K	-1195.460162
HF Energy	-1194.718069
Nuclear repulsion energy	379.345782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3036	1.17
2	A	1509	1394	9.61
3	A	1408	1300	31.09
4	A	1225	1132	163.02
5	A	1166	1077	100.87
6	A	908	838	80.38
7	A	490	452	0.67
8	A	333	308	1.49
9	A	174	161	0.75
10	A	88	81	0.79
11	B	3297	3046	12.80
12	B	1444	1333	10.09
13	B	1333	1231	32.38
14	B	1191	1100	24.21
15	B	900	831	121.61
16	B	458	423	13.47
17	B	414	382	9.67
18	B	358	331	14.40

Atom	x (Å)	y (Å)	z (Å)
C1	-0.228	0.724	0.387
C2	0.228	-0.724	0.387
H3	-1.308	0.794	0.360
H4	1.308	-0.794	0.360
F5	0.228	1.272	1.541
F6	-0.228	-1.272	1.541
Cl7	0.438	1.617	-0.974
Cl8	-0.438	-1.617	-0.974

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5178	1.0828	2.1596	1.3563	2.3054	1.7588	2.7159
C2	1.5178		2.1596	1.0828	2.3054	1.3563	2.7159	1.7588
H3	1.0828	2.1596		3.0605	1.9955	2.6135	2.3463	2.8896
H4	2.1596	1.0828	3.0605		2.6135	1.9955	2.8896	2.3463
F5	1.3563	2.3054	1.9955	2.6135		2.5846	2.5471	3.8878
F6	2.3054	1.3563	2.6135	1.9955	2.5846		3.8878	2.5471
Cl7	1.7588	2.7159	2.3463	2.8896	2.5471	3.8878		3.3505
Cl8	2.7159	1.7588	2.8896	2.3463	3.8878	2.5471	3.3505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.187	C1	C2	F6	106.535
C1	C2	Cl8	111.757	C2	C1	H3	111.187
C2	C1	F5	106.535	C2	C1	Cl7	111.757
H3	C1	F5	109.287	H3	C1	Cl7	108.988
H4	C2	F6	109.287	H4	C2	Cl8	108.988
F5	C1	Cl7	109.019	F6	C2	Cl8	109.019

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

using model chemistry: CID/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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