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	hartrees
Energy at 0K	-1191.458665
Energy at 298.15K	-1191.461565
HF Energy	-1191.458665
Nuclear repulsion energy	359.582328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3091	3074	0.00
2	A_g	1383	1376	0.00
3	A_g	1227	1220	0.00
4	A_g	1097	1091	0.00
5	A_g	1001	996	0.00
6	A_g	662	658	0.00
7	A_g	465	463	0.00
8	A_g	299	298	0.00
9	A_g	236	234	0.00
10	A_u	3105	3087	7.72
11	A_u	1291	1284	10.41
12	A_u	1172	1166	37.99
13	A_u	1122	1116	183.03
14	A_u	614	610	239.74
15	A_u	329	327	22.74
16	A_u	316	314	16.50
17	A_u	148	147	3.63
18	A_u	58	58	1.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.008	0.000	-1.186
H4	-1.008	0.000	1.186
F5	-0.816	-1.001	-1.262
F6	0.816	1.001	1.262
Cl7	-0.727	1.737	-1.277
Cl8	0.727	-1.737	1.277

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5229	1.0939	2.1929	1.3849	2.4004	1.9524	2.7749
C2	1.5229		2.1929	1.0939	2.4004	1.3849	2.7749	1.9524
H3	1.0939	2.1929		3.1131	2.0820	2.6516	2.4572	3.0266
H4	2.1929	1.0939	3.1131		2.6516	2.0820	3.0266	2.4572
F5	1.3849	2.4004	2.0820	2.6516		3.6112	2.7392	3.0609
F6	2.4004	1.3849	2.6516	2.0820	3.6112		3.0609	2.7392
Cl7	1.9524	2.7749	2.4572	3.0266	2.7392	3.0609		4.5502
Cl8	2.7749	1.9524	3.0266	2.4572	3.0609	2.7392	4.5502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.834	C1	C2	F6	111.193
C1	C2	Cl8	105.298	C2	C1	H3	112.834
C2	C1	F5	111.193	C2	C1	Cl7	105.298
H3	C1	F5	113.752	H3	C1	Cl7	103.944
H4	C2	F6	113.752	H4	C2	Cl8	103.944
F5	C1	Cl7	109.145	F6	C2	Cl8	109.145

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

using model chemistry: BLYP/3-21G

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	-0.042
2	C	-0.042
3	H	0.272
4	H	0.272
5	F	-0.197
6	F	-0.197
7	Cl	-0.034
8	Cl	-0.034

	x	y	z
x	4.418	-1.816	1.058
y	-1.816	9.206	-2.362
z	1.058	-2.362	5.178

<r²>	277.411
(<r²>)^1/2	16.656