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	hartrees
Energy at 0K	-1191.689401
Energy at 298.15K	-1191.692422
HF Energy	-1191.689401
Nuclear repulsion energy	365.745897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3058	3039	0.00
2	A_g	1372	1363	0.00
3	A_g	1278	1270	0.00
4	A_g	1061	1054	0.00
5	A_g	989	983	0.00
6	A_g	716	711	0.00
7	A_g	467	464	0.00
8	A_g	321	319	0.00
9	A_g	249	247	0.00
10	A_u	3074	3054	14.38
11	A_u	1292	1284	13.26
12	A_u	1225	1218	35.12
13	A_u	1088	1081	156.31
14	A_u	654	650	249.78
15	A_u	345	342	5.29
16	A_u	332	329	27.48
17	A_u	154	153	2.57
18	A_u	58	57	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.770
C2	0.000	0.000	0.770
H3	1.023	0.000	-1.164
H4	-1.023	0.000	1.164
F5	-0.752	-1.083	-1.237
F6	0.752	1.083	1.237
Cl7	-0.769	1.589	-1.332
Cl8	0.769	-1.589	1.332

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5396	1.0962	2.1875	1.3986	2.4010	1.8523	2.7443
C2	1.5396		2.1875	1.0962	2.4010	1.3986	2.7443	1.8523
H3	1.0962	2.1875		3.0989	2.0804	2.6475	2.4007	2.9690
H4	2.1875	1.0962	3.0989		2.6475	2.0804	2.9690	2.4007
F5	1.3986	2.4010	2.0804	2.6475		3.6155	2.6733	3.0277
F6	2.4010	1.3986	2.6475	2.0804	3.6155		3.0277	2.6733
Cl7	1.8523	2.7443	2.4007	2.9690	2.6733	3.0277		4.4220
Cl8	2.7443	1.8523	2.9690	2.4007	3.0277	2.6733	4.4220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.064	C1	C2	F6	109.510
C1	C2	Cl8	107.653	C2	C1	H3	111.064
C2	C1	F5	109.510	C2	C1	Cl7	107.653
H3	C1	F5	112.440	H3	C1	Cl7	106.169
H4	C2	F6	112.440	H4	C2	Cl8	106.169
F5	C1	Cl7	109.846	F6	C2	Cl8	109.846

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	-0.020
2	C	-0.020
3	H	0.258
4	H	0.258
5	F	-0.215
6	F	-0.215
7	Cl	-0.023
8	Cl	-0.023

	x	y	z
x	4.960	-1.478	0.977
y	-1.478	8.228	-1.934
z	0.977	-1.934	5.611

<r²>	267.165
(<r²>)^1/2	16.345