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	hartrees
Energy at 0K	-1195.996210
Energy at 298.15K	-1195.999823
HF Energy	-1194.841338
Nuclear repulsion energy	377.138597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3188	3188	0.00
2	A_g	1465	1465	0.00
3	A_g	1386	1386	0.00
4	A_g	1184	1184	0.00
5	A_g	1136	1136	0.00
6	A_g	880	880	0.00
7	A_g	537	537	0.00
8	A_g	393	393	0.00
9	A_g	282	282	0.00
10	A_u	3198	3198	14.17
11	A_u	1380	1380	36.44
12	A_u	1299	1299	35.37
13	A_u	1183	1183	258.48
14	A_u	826	826	195.43
15	A_u	422	422	4.85
16	A_u	384	384	31.14
17	A_u	181	181	1.49
18	A_u	79	79	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.017	0.000	-1.150
H4	-1.017	0.000	1.150
F5	-0.652	-1.101	-1.199
F6	0.652	1.101	1.199
Cl7	-0.831	1.444	-1.356
Cl8	0.831	-1.444	1.356

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5227	1.0889	2.1649	1.3522	2.3407	1.7686	2.6938
C2	1.5227		2.1649	1.0889	2.3407	1.3522	2.6938	1.7686
H3	1.0889	2.1649		3.0703	2.0002	2.6192	2.3542	2.8976
H4	2.1649	1.0889	3.0703		2.6192	2.0002	2.8976	2.3542
F5	1.3522	2.3407	2.0002	2.6192		3.5065	2.5560	2.9731
F6	2.3407	1.3522	2.6192	2.0002	3.5065		2.9731	2.5560
Cl7	1.7686	2.6938	2.3542	2.8976	2.5560	2.9731		4.2953
Cl8	2.6938	1.7686	2.8976	2.3542	2.9731	2.5560	4.2953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.890	C1	C2	F6	108.869
C1	C2	Cl8	109.638	C2	C1	H3	110.890
C2	C1	F5	108.869	C2	C1	Cl7	109.638
H3	C1	F5	109.572	H3	C1	Cl7	108.599
H4	C2	F6	109.572	H4	C2	Cl8	108.599
F5	C1	Cl7	109.253	F6	C2	Cl8	109.253

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

using model chemistry: MP3=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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