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	hartrees
Energy at 0K	-1197.642225
Energy at 298.15K	-1197.645618
HF Energy	-1197.642225
Nuclear repulsion energy	372.729171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3128	3019	0.00
2	A_g	1404	1356	0.00
3	A_g	1309	1264	0.00
4	A_g	1105	1066	0.00
5	A_g	1062	1025	0.00
6	A_g	800	772	0.00
7	A_g	513	495	0.00
8	A_g	364	351	0.00
9	A_g	264	255	0.00
10	A_u	3140	3031	8.61
11	A_u	1332	1286	13.54
12	A_u	1232	1189	39.14
13	A_u	1099	1061	276.17
14	A_u	742	716	240.43
15	A_u	395	381	2.11
16	A_u	373	360	30.67
17	A_u	171	165	1.24
18	A_u	68	66	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.010	0.000	-1.167
H4	-1.010	0.000	1.167
F5	-0.675	-1.093	-1.215
F6	0.675	1.093	1.215
Cl7	-0.824	1.487	-1.364
Cl8	0.824	-1.487	1.364

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5281	1.0876	2.1795	1.3614	2.3594	1.8030	2.7236
C2	1.5281		2.1795	1.0876	2.3594	1.3614	2.7236	1.8030
H3	1.0876	2.1795		3.0873	2.0089	2.6425	2.3697	2.9413
H4	2.1795	1.0876	3.0873		2.6425	2.0089	2.9413	2.3697
F5	1.3614	2.3594	2.0089	2.6425		3.5363	2.5890	3.0084
F6	2.3594	1.3614	2.6425	2.0089	3.5363		3.0084	2.5890
Cl7	1.8030	2.7236	2.3697	2.9413	2.5890	3.0084		4.3592
Cl8	2.7236	1.8030	2.9413	2.3697	3.0084	2.5890	4.3592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.758	C1	C2	F6	109.342
C1	C2	Cl8	109.421	C2	C1	H3	111.758
C2	C1	F5	109.342	C2	C1	Cl7	109.421
H3	C1	F5	109.717	H3	C1	Cl7	107.541
H4	C2	F6	109.717	H4	C2	Cl8	107.541
F5	C1	Cl7	109.008	F6	C2	Cl8	109.008

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

using model chemistry: B3LYP/TZVP

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	0.060
2	C	0.060
3	H	0.175
4	H	0.175
5	F	-0.170
6	F	-0.170
7	Cl	-0.066
8	Cl	-0.066

	x	y	z
x	6.005	-1.390	0.944
y	-1.390	8.430	-1.630
z	0.944	-1.630	6.583

<r²>	259.968
(<r²>)^1/2	16.124