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	hartrees
Energy at 0K	-1195.652974
Energy at 298.15K	-1195.656544
HF Energy	-1194.735616
Nuclear repulsion energy	376.038448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3234	3009	0.00
2	A_g	1450	1349	0.00
3	A_g	1382	1286	0.00
4	A_g	1170	1089	0.00
5	A_g	1115	1037	0.00
6	A_g	883	822	0.00
7	A_g	529	492	0.00
8	A_g	387	360	0.00
9	A_g	278	258	0.00
10	A_u	3245	3019	7.77
11	A_u	1362	1267	37.11
12	A_u	1298	1208	29.67
13	A_u	1145	1065	252.84
14	A_u	831	773	183.07
15	A_u	413	384	6.30
16	A_u	381	354	30.80
17	A_u	177	165	1.14
18	A_u	79	73	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.010	0.000	-1.159
H4	-1.010	0.000	1.159
F5	-0.649	-1.132	-1.188
F6	0.649	1.132	1.188
Cl7	-0.857	1.417	-1.369
Cl8	0.857	-1.417	1.369

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5236	1.0855	2.1701	1.3726	2.3461	1.7641	2.6990
C2	1.5236		2.1701	1.0855	2.3461	1.3726	2.6990	1.7641
H3	1.0855	2.1701		3.0747	2.0087	2.6304	2.3535	2.9024
H4	2.1701	1.0855	3.0747		2.6304	2.0087	2.9024	2.3535
F5	1.3726	2.3461	2.0087	2.6304		3.5291	2.5643	2.9813
F6	2.3461	1.3726	2.6304	2.0087	3.5291		2.9813	2.5643
Cl7	1.7641	2.6990	2.3535	2.9024	2.5643	2.9813		4.2979
Cl8	2.6990	1.7641	2.9024	2.3535	2.9813	2.5643	4.2979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.448	C1	C2	F6	108.091
C1	C2	Cl8	110.144	C2	C1	H3	111.448
C2	C1	F5	108.091	C2	C1	Cl7	110.144
H3	C1	F5	109.054	H3	C1	Cl7	109.027
H4	C2	F6	109.054	H4	C2	Cl8	109.027
F5	C1	Cl7	109.036	F6	C2	Cl8	109.036

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

using model chemistry: MP3/6-31+G**

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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