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	hartrees
Energy at 0K	-1195.851166
Energy at 298.15K	-1195.854710
HF Energy	-1194.876922
Nuclear repulsion energy	375.824972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3183	3017	0.00
2	A_g	1436	1361	0.00
3	A_g	1366	1294	0.00
4	A_g	1151	1091	0.00
5	A_g	1099	1041	0.00
6	A_g	862	817	0.00
7	A_g	526	499	0.00
8	A_g	383	363	0.00
9	A_g	274	260	0.00
10	A_u	3195	3029	9.84
11	A_u	1358	1287	23.52
12	A_u	1282	1215	37.67
13	A_u	1129	1070	258.03
14	A_u	808	765	198.75
15	A_u	411	389	3.78
16	A_u	382	362	30.40
17	A_u	175	166	1.16
18	A_u	75	71	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.013	0.000	-1.154
H4	-1.013	0.000	1.154
F5	-0.656	-1.109	-1.203
F6	0.656	1.109	1.203
Cl7	-0.836	1.450	-1.352
Cl8	0.836	-1.450	1.352

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5220	1.0871	2.1668	1.3624	2.3494	1.7755	2.6961
C2	1.5220		2.1668	1.0871	2.3494	1.3624	2.6961	1.7755
H3	1.0871	2.1668		3.0720	2.0048	2.6300	2.3587	2.9013
H4	2.1668	1.0871	3.0720		2.6300	2.0048	2.9013	2.3587
F5	1.3624	2.3494	2.0048	2.6300		3.5264	2.5703	2.9789
F6	2.3494	1.3624	2.6300	2.0048	3.5264		2.9789	2.5703
Cl7	1.7755	2.6961	2.3587	2.9013	2.5703	2.9789		4.3041
Cl8	2.6961	1.7755	2.9013	2.3587	2.9789	2.5703	4.3041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.202	C1	C2	F6	108.951
C1	C2	Cl8	109.452	C2	C1	H3	111.202
C2	C1	F5	108.951	C2	C1	Cl7	109.452
H3	C1	F5	109.349	H3	C1	Cl7	108.573
H4	C2	F6	109.349	H4	C2	Cl8	108.573
F5	C1	Cl7	109.289	F6	C2	Cl8	109.289

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

using model chemistry: MP2/TZVP

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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