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	hartrees
Energy at 0K	-90.635682
Energy at 298.15K	-90.638873
HF Energy	-90.635682
Nuclear repulsion energy	131.969430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3144	3064	0.00
2	A_g	1380	1345	0.00
3	A_g	1282	1249	0.00
4	A_g	1101	1073	0.00
5	A_g	992	966	0.00
6	A_g	765	745	0.00
7	A_g	480	467	0.00
8	A_g	340	331	0.00
9	A_g	249	243	0.00
10	A_u	3154	3074	7.63
11	A_u	1294	1261	10.54
12	A_u	1220	1189	35.21
13	A_u	1020	994	229.64
14	A_u	711	693	212.38
15	A_u	363	353	7.07
16	A_u	350	341	41.51
17	A_u	159	155	1.79
18	A_u	61	59	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.770
C2	0.000	0.000	0.770
H3	1.001	0.000	-1.202
H4	-1.001	0.000	1.202
F5	-0.705	-1.154	-1.220
F6	0.705	1.154	1.220
Cl7	-0.896	1.507	-1.404
Cl8	0.896	-1.507	1.404

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5402	1.0904	2.2120	1.4250	2.4059	1.8647	2.7930
C2	1.5402		2.2120	1.0904	2.4059	1.4250	2.7930	1.8647
H3	1.0904	2.2120		3.1291	2.0596	2.6993	2.4317	3.0124
H4	2.2120	1.0904	3.1291		2.6993	2.0596	3.0124	2.4317
F5	1.4250	2.4059	2.0596	2.6993		3.6421	2.6745	3.0938
F6	2.4059	1.4250	2.6993	2.0596	3.6421		3.0938	2.6745
Cl7	1.8647	2.7930	2.4317	3.0124	2.6745	3.0938		4.4926
Cl8	2.7930	1.8647	3.0124	2.4317	3.0938	2.6745	4.4926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.351	C1	C2	F6	108.396
C1	C2	Cl8	109.864	C2	C1	H3	113.351
C2	C1	F5	108.396	C2	C1	Cl7	109.864
H3	C1	F5	109.207	H3	C1	Cl7	107.860
H4	C2	F6	109.207	H4	C2	Cl8	107.860
F5	C1	Cl7	108.037	F6	C2	Cl8	108.037

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

using model chemistry: B3LYP/CEP-121G

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	-0.138
2	C	-0.138
3	H	0.233
4	H	0.233
5	F	-0.181
6	F	-0.181
7	Cl	0.086
8	Cl	0.086

	x	y	z
x	5.357	-1.879	1.237
y	-1.879	8.511	-1.945
z	1.237	-1.945	5.980

<r²>	156.963
(<r²>)^1/2	12.528