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	hartrees
Energy at 0K	-1195.876405
Energy at 298.15K	-1195.879983
HF Energy	-1194.877667
Nuclear repulsion energy	375.874855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3201	2993	0.00
2	A_g	1461	1366	0.00
3	A_g	1381	1291	0.00
4	A_g	1176	1100	0.00
5	A_g	1124	1052	0.00
6	A_g	867	811	0.00
7	A_g	534	499	0.00
8	A_g	387	362	0.00
9	A_g	275	257	0.00
10	A_u	3212	3004	10.35
11	A_u	1377	1288	28.11
12	A_u	1293	1209	40.80
13	A_u	1173	1097	256.20
14	A_u	811	759	187.91
15	A_u	415	388	4.62
16	A_u	385	360	31.07
17	A_u	175	164	1.17
18	A_u	75	70	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.013	0.000	-1.153
H4	-1.013	0.000	1.153
F5	-0.656	-1.098	-1.203
F6	0.656	1.098	1.203
Cl7	-0.833	1.456	-1.358
Cl8	0.833	-1.456	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5240	1.0853	2.1659	1.3532	2.3449	1.7801	2.7032
C2	1.5240		2.1659	1.0853	2.3449	1.3532	2.7032	1.7801
H3	1.0853	2.1659		3.0685	1.9981	2.6237	2.3596	2.9078
H4	2.1659	1.0853	3.0685		2.6237	1.9981	2.9078	2.3596
F5	1.3532	2.3449	1.9981	2.6237		3.5124	2.5654	2.9837
F6	2.3449	1.3532	2.6237	1.9981	3.5124		2.9837	2.5654
Cl7	1.7801	2.7032	2.3596	2.9078	2.5654	2.9837		4.3163
Cl8	2.7032	1.7801	2.9078	2.3596	2.9837	2.5654	4.3163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.094	C1	C2	F6	109.029
C1	C2	Cl8	109.553	C2	C1	H3	111.094
C2	C1	F5	109.029	C2	C1	Cl7	109.553
H3	C1	F5	109.561	H3	C1	Cl7	108.419
H4	C2	F6	109.561	H4	C2	Cl8	108.419
F5	C1	Cl7	109.159	F6	C2	Cl8	109.159

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

using model chemistry: MP3/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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