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	hartrees
Energy at 0K	-1197.473077
Energy at 298.15K	-1197.476477
HF Energy	-1197.473077
Nuclear repulsion energy	373.228114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3132	3009	0.00
2	A_g	1414	1359	0.00
3	A_g	1321	1269	0.00
4	A_g	1133	1089	0.00
5	A_g	1085	1042	0.00
6	A_g	807	775	0.00
7	A_g	516	495	0.00
8	A_g	365	351	0.00
9	A_g	267	256	0.00
10	A_u	3143	3019	14.67
11	A_u	1336	1284	25.67
12	A_u	1239	1191	43.14
13	A_u	1147	1102	246.67
14	A_u	747	717	242.46
15	A_u	393	378	2.25
16	A_u	369	354	29.68
17	A_u	171	164	1.51
18	A_u	75	72	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.016	0.000	-1.163
H4	-1.016	0.000	1.163
F5	-0.686	-1.084	-1.211
F6	0.686	1.084	1.211
Cl7	-0.811	1.496	-1.356
Cl8	0.811	-1.496	1.356

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5296	1.0915	2.1791	1.3583	2.3556	1.8015	2.7194
C2	1.5296		2.1791	1.0915	2.3556	1.3583	2.7194	1.8015
H3	1.0915	2.1791		3.0886	2.0187	2.6303	2.3692	2.9372
H4	2.1791	1.0915	3.0886		2.6303	2.0187	2.9372	2.3692
F5	1.3583	2.3556	2.0187	2.6303		3.5281	2.5875	2.9998
F6	2.3556	1.3583	2.6303	2.0187	3.5281		2.9998	2.5875
Cl7	1.8015	2.7194	2.3692	2.9372	2.5875	2.9998		4.3521
Cl8	2.7194	1.8015	2.9372	2.3692	2.9998	2.5875	4.3521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.384	C1	C2	F6	109.167
C1	C2	Cl8	109.172	C2	C1	H3	111.384
C2	C1	F5	109.167	C2	C1	Cl7	109.172
H3	C1	F5	110.513	H3	C1	Cl7	107.412
H4	C2	F6	110.513	H4	C2	Cl8	107.412
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: 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	0.112
2	C	0.112
3	H	0.172
4	H	0.172
5	F	-0.253
6	F	-0.253
7	Cl	-0.031
8	Cl	-0.031

	x	y	z
x	5.351	-1.474	0.932
y	-1.474	7.755	-1.723
z	0.932	-1.723	5.923

<r²>	258.651
(<r²>)^1/2	16.083