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	hartrees
Energy at 0K	-1197.329239
Energy at 298.15K	-1197.332735
HF Energy	-1197.329239
Nuclear repulsion energy	376.210961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3177	3025	0.00
2	A_g	1418	1350	0.00
3	A_g	1325	1262	0.00
4	A_g	1160	1104	0.00
5	A_g	1109	1056	0.00
6	A_g	853	812	0.00
7	A_g	527	502	0.00
8	A_g	382	364	0.00
9	A_g	270	257	0.00
10	A_u	3188	3035	7.20
11	A_u	1326	1263	26.11
12	A_u	1246	1186	37.02
13	A_u	1172	1116	273.15
14	A_u	809	770	223.89
15	A_u	406	387	4.93
16	A_u	372	354	31.33
17	A_u	169	161	1.04
18	A_u	76	72	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.015	0.000	-1.164
H4	-1.015	0.000	1.164
F5	-0.664	-1.103	-1.195
F6	0.664	1.103	1.195
Cl7	-0.840	1.448	-1.352
Cl8	0.840	-1.448	1.352

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5250	1.0915	2.1775	1.3582	2.3430	1.7747	2.6971
C2	1.5250		2.1775	1.0915	2.3430	1.3582	2.6971	1.7747
H3	1.0915	2.1775		3.0886	2.0089	2.6279	2.3608	2.9082
H4	2.1775	1.0915	3.0886		2.6279	2.0089	2.9082	2.3608
F5	1.3582	2.3430	2.0089	2.6279		3.5133	2.5618	2.9782
F6	2.3430	1.3582	2.6279	2.0089	3.5133		2.9782	2.5618
Cl7	1.7747	2.6971	2.3608	2.9082	2.5618	2.9782		4.3038
Cl8	2.6971	1.7747	2.9082	2.3608	2.9782	2.5618	4.3038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.579	C1	C2	F6	108.575
C1	C2	Cl8	109.412	C2	C1	H3	111.579
C2	C1	F5	108.575	C2	C1	Cl7	109.412
H3	C1	F5	109.703	H3	C1	Cl7	108.549
H4	C2	F6	109.703	H4	C2	Cl8	108.549
F5	C1	Cl7	108.987	F6	C2	Cl8	108.987

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.037
2	C	-0.037
3	H	0.228
4	H	0.228
5	F	-0.232
6	F	-0.232
7	Cl	0.041
8	Cl	0.041

	x	y	z
x	6.552	-1.295	0.889
y	-1.295	8.490	-1.491
z	0.889	-1.491	6.941

<r²>	255.154
(<r²>)^1/2	15.974