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	hartrees
Energy at 0K	-1197.470407
Energy at 298.15K	-1197.473797
HF Energy	-1197.470407
Nuclear repulsion energy	373.222693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3144	3019	0.00
2	A_g	1422	1366	0.00
3	A_g	1333	1280	0.00
4	A_g	1134	1089	0.00
5	A_g	1087	1044	0.00
6	A_g	809	777	0.00
7	A_g	516	495	0.00
8	A_g	365	351	0.00
9	A_g	267	256	0.00
10	A_u	3155	3030	15.67
11	A_u	1346	1292	29.22
12	A_u	1251	1202	44.56
13	A_u	1147	1102	246.40
14	A_u	748	718	243.18
15	A_u	394	378	2.27
16	A_u	370	355	29.71
17	A_u	171	164	1.52
18	A_u	75	72	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.016	0.000	-1.163
H4	-1.016	0.000	1.163
F5	-0.683	-1.086	-1.211
F6	0.683	1.086	1.211
Cl7	-0.814	1.494	-1.356
Cl8	0.814	-1.494	1.356

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5299	1.0912	2.1795	1.3583	2.3560	1.8013	2.7194
C2	1.5299		2.1795	1.0912	2.3560	1.3583	2.7194	1.8013
H3	1.0912	2.1795		3.0888	2.0170	2.6320	2.3702	2.9364
H4	2.1795	1.0912	3.0888		2.6320	2.0170	2.9364	2.3702
F5	1.3583	2.3560	2.0170	2.6320		3.5285	2.5876	2.9998
F6	2.3560	1.3583	2.6320	2.0170	3.5285		2.9998	2.5876
Cl7	1.8013	2.7194	2.3702	2.9364	2.5876	2.9998		4.3519
Cl8	2.7194	1.8013	2.9364	2.3702	2.9998	2.5876	4.3519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.406	C1	C2	F6	109.176
C1	C2	Cl8	109.166	C2	C1	H3	111.406
C2	C1	F5	109.176	C2	C1	Cl7	109.166
H3	C1	F5	110.385	H3	C1	Cl7	107.501
H4	C2	F6	110.385	H4	C2	Cl8	107.501
F5	C1	Cl7	109.161	F6	C2	Cl8	109.161

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

using model chemistry: B3LYP/6-31G*

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	0.069
2	C	0.069
3	H	0.211
4	H	0.211
5	F	-0.250
6	F	-0.250
7	Cl	-0.030
8	Cl	-0.030

	x	y	z
x	5.335	-1.478	0.936
y	-1.478	7.727	-1.719
z	0.936	-1.719	5.897

<r²>	258.657
(<r²>)^1/2	16.083