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	hartrees
Energy at 0K	-1197.124176
Energy at 298.15K	-1197.127687
HF Energy	-1196.757304
Nuclear repulsion energy	376.521729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3159	3159	0.49
2	A	1423	1423	9.25
3	A	1325	1325	14.08
4	A	1136	1136	131.63
5	A	1080	1080	144.65
6	A	839	839	103.53
7	A	460	460	1.81
8	A	317	317	1.51
9	A	169	169	0.77
10	A	79	79	0.63
11	B	3170	3170	12.74
12	B	1371	1371	9.97
13	B	1254	1254	36.75
14	B	1089	1089	26.07
15	B	827	827	114.64
16	B	437	437	12.36
17	B	392	392	8.10
18	B	335	335	11.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.225	0.729	0.399
C2	0.225	-0.729	0.399
H3	-1.308	0.811	0.356
H4	1.308	-0.811	0.356
F5	0.225	1.295	1.555
F6	-0.225	-1.295	1.555
Cl7	0.463	1.610	-0.985
Cl8	-0.463	-1.610	-0.985

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5259	1.0873	2.1731	1.3628	2.3305	1.7794	2.7290
C2	1.5259		2.1731	1.0873	2.3305	1.3628	2.7290	1.7794
H3	1.0873	2.1731		3.0778	2.0053	2.6544	2.3606	2.8940
H4	2.1731	1.0873	3.0778		2.6544	2.0053	2.8940	2.3606
F5	1.3628	2.3305	2.0053	2.6544		2.6277	2.5711	3.9198
F6	2.3305	1.3628	2.6544	2.0053	2.6277		3.9198	2.5711
Cl7	1.7794	2.7290	2.3606	2.8940	2.5711	3.9198		3.3511
Cl8	2.7290	1.7794	2.8940	2.3606	3.9198	2.5711	3.3511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.415	C1	C2	F6	107.428
C1	C2	Cl8	111.077	C2	C1	H3	111.415
C2	C1	F5	107.428	C2	C1	Cl7	111.077
H3	C1	F5	109.347	H3	C1	Cl7	108.436
H4	C2	F6	109.347	H4	C2	Cl8	108.436
F5	C1	Cl7	109.101	F6	C2	Cl8	109.101

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

using model chemistry: B2PLYP=FULL/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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