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	hartrees
Energy at 0K	-1195.970775
Energy at 298.15K	-1195.974362
HF Energy	-1194.840778
Nuclear repulsion energy	377.155175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3181	3013	0.00
2	A_g	1447	1371	0.00
3	A_g	1376	1303	0.00
4	A_g	1164	1102	0.00
5	A_g	1113	1054	0.00
6	A_g	875	829	0.00
7	A_g	531	503	0.00
8	A_g	390	369	0.00
9	A_g	281	267	0.00
10	A_u	3192	3023	14.50
11	A_u	1368	1296	33.02
12	A_u	1293	1224	33.72
13	A_u	1145	1085	255.46
14	A_u	822	778	206.92
15	A_u	418	396	3.98
16	A_u	382	361	30.15
17	A_u	181	171	1.47
18	A_u	79	75	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.760
C2	0.000	0.000	0.760
H3	1.018	0.000	-1.149
H4	-1.018	0.000	1.149
F5	-0.653	-1.109	-1.200
F6	0.653	1.109	1.200
Cl7	-0.831	1.441	-1.350
Cl8	0.831	-1.441	1.350

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5207	1.0897	2.1641	1.3596	2.3448	1.7646	2.6868
C2	1.5207		2.1641	1.0897	2.3448	1.3596	2.6868	1.7646
H3	1.0897	2.1641		3.0707	2.0057	2.6233	2.3525	2.8908
H4	2.1641	1.0897	3.0707		2.6233	2.0057	2.8908	2.3525
F5	1.3596	2.3448	2.0057	2.6233		3.5186	2.5602	2.9685
F6	2.3448	1.3596	2.6233	2.0057	3.5186		2.9685	2.5602
Cl7	1.7646	2.6868	2.3525	2.8908	2.5602	2.9685		4.2840
Cl8	2.6868	1.7646	2.8908	2.3525	2.9685	2.5602	4.2840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.919	C1	C2	F6	108.865
C1	C2	Cl8	109.507	C2	C1	H3	110.919
C2	C1	F5	108.865	C2	C1	Cl7	109.507
H3	C1	F5	109.458	H3	C1	Cl7	108.698
H4	C2	F6	109.458	H4	C2	Cl8	108.698
F5	C1	Cl7	109.376	F6	C2	Cl8	109.376

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

using model chemistry: MP2=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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