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	hartrees
Energy at 0K	-1197.367899
Energy at 298.15K	-1197.371120
HF Energy	-1197.367899
Nuclear repulsion energy	364.767519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3196	3075	0.00
2	A_g	1405	1352	0.00
3	A_g	1305	1256	0.00
4	A_g	1130	1087	0.00
5	A_g	1040	1000	0.00
6	A_g	757	728	0.00
7	A_g	493	474	0.00
8	A_g	342	329	0.00
9	A_g	255	245	0.00
10	A_u	3209	3087	3.47
11	A_u	1318	1268	11.96
12	A_u	1243	1195	37.73
13	A_u	1082	1041	197.40
14	A_u	697	671	227.90
15	A_u	365	351	7.87
16	A_u	353	340	37.12
17	A_u	163	157	2.44
18	A_u	70	68	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.757
C2	0.000	0.000	0.757
H3	0.999	0.000	-1.186
H4	-0.999	0.000	1.186
F5	-0.728	-1.108	-1.213
F6	0.728	1.108	1.213
Cl7	-0.851	1.547	-1.368
Cl8	0.851	-1.547	1.368

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5148	1.0869	2.1853	1.4024	2.3751	1.8684	2.7632
C2	1.5148		2.1853	1.0869	2.3751	1.4024	2.7632	1.8684
H3	1.0869	2.1853		3.1014	2.0522	2.6568	2.4182	2.9901
H4	2.1853	1.0869	3.1014		2.6568	2.0522	2.9901	2.4182
F5	1.4024	2.3751	2.0522	2.6568		3.5946	2.6630	3.0574
F6	2.3751	1.4024	2.6568	2.0522	3.5946		3.0574	2.6630
Cl7	1.8684	2.7632	2.4182	2.9901	2.6630	3.0574		4.4674
Cl8	2.7632	1.8684	2.9901	2.4182	3.0574	2.6630	4.4674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.246	C1	C2	F6	108.956
C1	C2	Cl8	109.078	C2	C1	H3	113.246
C2	C1	F5	108.956	C2	C1	Cl7	109.078
H3	C1	F5	110.423	H3	C1	Cl7	106.825
H4	C2	F6	110.423	H4	C2	Cl8	106.825
F5	C1	Cl7	108.173	F6	C2	Cl8	108.173

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	-0.005
2	C	-0.005
3	H	0.237
4	H	0.237
5	F	-0.278
6	F	-0.278
7	Cl	0.046
8	Cl	0.046

	x	y	z
x	4.837	-1.798	1.194
y	-1.798	8.055	-2.007
z	1.194	-2.007	5.292

<r²>	270.257
(<r²>)^1/2	16.439