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	hartrees
Energy at 0K	-1197.057267
Energy at 298.15K	-1197.060771
HF Energy	-1197.057267
Nuclear repulsion energy	377.928246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3149	3021	0.58
2	A	1422	1365	10.95
3	A	1325	1271	12.31
4	A	1146	1100	184.70
5	A	1089	1045	110.49
6	A	842	808	104.49
7	A	465	446	2.06
8	A	316	303	1.48
9	A	167	161	0.79
10	A	79	76	0.64
11	B	3161	3033	16.55
12	B	1368	1313	10.78
13	B	1252	1202	33.05
14	B	1108	1063	29.92
15	B	831	798	117.15
16	B	438	420	11.71
17	B	395	379	7.83
18	B	333	319	11.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.222	0.729	0.399
C2	0.222	-0.729	0.399
H3	-1.308	0.814	0.353
H4	1.308	-0.814	0.353
F5	0.222	1.291	1.549
F6	-0.222	-1.291	1.549
Cl7	0.467	1.602	-0.982
Cl8	-0.467	-1.602	-0.982

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5231	1.0901	2.1724	1.3550	2.3239	1.7725	2.7192
C2	1.5231		2.1724	1.0901	2.3239	1.3550	2.7192	1.7725
H3	1.0901	2.1724		3.0801	1.9994	2.6529	2.3560	2.8844
H4	2.1724	1.0901	3.0801		2.6529	1.9994	2.8844	2.3560
F5	1.3550	2.3239	1.9994	2.6529		2.6193	2.5613	3.9043
F6	2.3239	1.3550	2.6529	1.9994	2.6193		3.9043	2.5613
Cl7	1.7725	2.7192	2.3560	2.8844	2.5613	3.9043		3.3365
Cl8	2.7192	1.7725	2.8844	2.3560	3.9043	2.5613	3.3365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.394	C1	C2	F6	107.551
C1	C2	Cl8	110.976	C2	C1	H3	111.394
C2	C1	F5	107.551	C2	C1	Cl7	110.976
H3	C1	F5	109.237	H3	C1	Cl7	108.415
H4	C2	F6	109.237	H4	C2	Cl8	108.415
F5	C1	Cl7	109.235	F6	C2	Cl8	109.235

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	-0.055
2	C	-0.055
3	H	0.284
4	H	0.284
5	F	-0.200
6	F	-0.200
7	Cl	-0.030
8	Cl	-0.030

	x	y	z	Total
	0.000	0.000	-0.280	0.280
CHELPG
AIM
ESP

	x	y	z
x	4.949	0.766	0.000
y	0.766	6.459	0.000
z	0.000	0.000	7.065

<r²>	245.684
(<r²>)^1/2	15.674