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	hartrees
Energy at 0K	-1195.855392
Energy at 298.15K	-1195.858878
HF Energy	-1194.807352
Nuclear repulsion energy	373.767285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3159	3159	0.00
2	A_g	1413	1413	0.00
3	A_g	1316	1316	0.00
4	A_g	1152	1152	0.00
5	A_g	1085	1085	0.00
6	A_g	842	842	0.00
7	A_g	517	517	0.00
8	A_g	378	378	0.00
9	A_g	272	272	0.00
10	A_u	3169	3169	7.08
11	A_u	1318	1318	16.17
12	A_u	1237	1237	35.63
13	A_u	1117	1117	233.69
14	A_u	795	795	190.15
15	A_u	404	404	3.93
16	A_u	370	370	26.64
17	A_u	172	172	0.80
18	A_u	73	73	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.019	0.000	-1.171
H4	-1.019	0.000	1.171
F5	-0.672	-1.114	-1.204
F6	0.672	1.114	1.204
Cl7	-0.846	1.452	-1.362
Cl8	0.846	-1.452	1.362

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5291	1.0977	2.1881	1.3736	2.3599	1.7836	2.7104
C2	1.5291		2.1881	1.0977	2.3599	1.3736	2.7104	1.7836
H3	1.0977	2.1881		3.1059	2.0261	2.6468	2.3717	2.9252
H4	2.1881	1.0977	3.1059		2.6468	2.0261	2.9252	2.3717
F5	1.3736	2.3599	2.0261	2.6468		3.5460	2.5771	3.0007
F6	2.3599	1.3736	2.6468	2.0261	3.5460		3.0007	2.5771
Cl7	1.7836	2.7104	2.3717	2.9252	2.5771	3.0007		4.3263
Cl8	2.7104	1.7836	2.9252	2.3717	3.0007	2.5771	4.3263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.760	C1	C2	F6	108.662
C1	C2	Cl8	109.569	C2	C1	H3	111.760
C2	C1	F5	108.662	C2	C1	Cl7	109.569
H3	C1	F5	109.633	H3	C1	Cl7	108.441
H4	C2	F6	109.633	H4	C2	Cl8	108.441
F5	C1	Cl7	108.728	F6	C2	Cl8	108.728

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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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