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	hartrees
Energy at 0K	-1194.809272
Energy at 298.15K	-1194.813000
HF Energy	-1194.809272
Nuclear repulsion energy	376.944298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3320	3023	0.00
2	A_g	1538	1401	0.00
3	A_g	1423	1296	0.00
4	A_g	1233	1123	0.00
5	A_g	1175	1070	0.00
6	A_g	893	813	0.00
7	A_g	555	506	0.00
8	A_g	404	368	0.00
9	A_g	289	263	0.00
10	A_u	3331	3033	8.77
11	A_u	1432	1304	22.84
12	A_u	1335	1216	48.64
13	A_u	1220	1111	287.59
14	A_u	835	761	254.05
15	A_u	432	393	3.56
16	A_u	402	366	32.09
17	A_u	184	168	0.99
18	A_u	79	72	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.006	0.000	-1.161
H4	-1.006	0.000	1.161
F5	-0.664	-1.083	-1.199
F6	0.664	1.083	1.199
Cl7	-0.828	1.452	-1.364
Cl8	0.828	-1.452	1.364

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5219	1.0826	2.1695	1.3431	2.3349	1.7772	2.7039
C2	1.5219		2.1695	1.0826	2.3349	1.3431	2.7039	1.7772
H3	1.0826	2.1695		3.0727	1.9902	2.6187	2.3478	2.9189
H4	2.1695	1.0826	3.0727		2.6187	1.9902	2.9189	2.3478
F5	1.3431	2.3349	1.9902	2.6187		3.4922	2.5456	2.9882
F6	2.3349	1.3431	2.6187	1.9902	3.4922		2.9882	2.5456
Cl7	1.7772	2.7039	2.3478	2.9189	2.5456	2.9882		4.3154
Cl8	2.7039	1.7772	2.9189	2.3478	2.9882	2.5456	4.3154

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.698	C1	C2	F6	109.013
C1	C2	Cl8	109.849	C2	C1	H3	111.698
C2	C1	F5	109.013	C2	C1	Cl7	109.849
H3	C1	F5	109.798	H3	C1	Cl7	107.888
H4	C2	F6	109.798	H4	C2	Cl8	107.888
F5	C1	Cl7	108.539	F6	C2	Cl8	108.539

All results from a given calculation for CHFClCHClF (ethane, 1,2-dichloro-1,2-difluoro-)

using model chemistry: HF/aug-cc-pVDZ

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	0.650
2	C	0.650
3	H	0.042
4	H	0.042
5	F	-0.580
6	F	-0.580
7	Cl	-0.111
8	Cl	-0.111

	x	y	z
x	6.934	-1.077	0.871
y	-1.077	8.678	-1.343
z	0.871	-1.343	7.514

<r²>	255.349
(<r²>)^1/2	15.980