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	hartrees
Energy at 0K	-1197.501319
Energy at 298.15K	-1197.504741
HF Energy	-1197.501319
Nuclear repulsion energy	376.519759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3160	3023	0.00
2	A_g	1404	1343	0.00
3	A_g	1322	1264	0.00
4	A_g	1138	1088	0.00
5	A_g	1090	1043	0.00
6	A_g	836	799	0.00
7	A_g	519	497	0.00
8	A_g	374	358	0.00
9	A_g	264	253	0.00
10	A_u	3171	3034	7.83
11	A_u	1322	1264	20.60
12	A_u	1243	1190	33.98
13	A_u	1138	1089	279.33
14	A_u	788	754	233.88
15	A_u	402	384	3.49
16	A_u	366	350	29.89
17	A_u	162	155	0.97
18	A_u	71	68	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.014	0.000	-1.161
H4	-1.014	0.000	1.161
F5	-0.658	-1.107	-1.196
F6	0.658	1.107	1.196
Cl7	-0.835	1.442	-1.358
Cl8	0.835	-1.442	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5236	1.0896	2.1738	1.3593	2.3438	1.7694	2.6961
C2	1.5236		2.1738	1.0896	2.3438	1.3593	2.6961	1.7694
H3	1.0896	2.1738		3.0828	2.0055	2.6287	2.3526	2.9079
H4	2.1738	1.0896	3.0828		2.6287	2.0055	2.9079	2.3526
F5	1.3593	2.3438	2.0055	2.6287		3.5158	2.5597	2.9778
F6	2.3438	1.3593	2.6287	2.0055	3.5158		2.9778	2.5597
Cl7	1.7694	2.6961	2.3526	2.9079	2.5597	2.9778		4.2986
Cl8	2.6961	1.7694	2.9079	2.3526	2.9778	2.5597	4.2986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.499	C1	C2	F6	108.650
C1	C2	Cl8	109.691	C2	C1	H3	111.499
C2	C1	F5	108.650	C2	C1	Cl7	109.691
H3	C1	F5	109.473	H3	C1	Cl7	108.399
H4	C2	F6	109.473	H4	C2	Cl8	108.399
F5	C1	Cl7	109.098	F6	C2	Cl8	109.098

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

using model chemistry: B1B95/6-31+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	-0.070
2	C	-0.070
3	H	0.228
4	H	0.228
5	F	-0.219
6	F	-0.219
7	Cl	0.061
8	Cl	0.061

	x	y	z
x	6.508	-1.245	0.916
y	-1.245	8.477	-1.488
z	0.916	-1.488	7.026

<r²>	254.604
(<r²>)^1/2	15.956