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	hartrees
Energy at 0K	-1197.531452
Energy at 298.15K	-1197.534648
HF Energy	-1197.531452
Nuclear repulsion energy	368.635114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3050	3042	0.00
2	A_g	1361	1358	0.00
3	A_g	1272	1269	0.00
4	A_g	1048	1045	0.00
5	A_g	1015	1012	0.00
6	A_g	748	746	0.00
7	A_g	490	489	0.00
8	A_g	343	342	0.00
9	A_g	253	253	0.00
10	A_u	3062	3054	16.82
11	A_u	1293	1290	14.98
12	A_u	1201	1198	46.32
13	A_u	1047	1045	263.71
14	A_u	684	682	268.29
15	A_u	375	374	1.80
16	A_u	359	358	28.90
17	A_u	165	164	1.55
18	A_u	66	66	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.770
C2	0.000	0.000	0.770
H3	1.015	0.000	-1.181
H4	-1.015	0.000	1.181
F5	-0.690	-1.098	-1.229
F6	0.690	1.098	1.229
Cl7	-0.828	1.514	-1.374
Cl8	0.828	-1.514	1.374

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5395	1.0953	2.1988	1.3757	2.3824	1.8277	2.7513
C2	1.5395		2.1988	1.0953	2.3824	1.3757	2.7513	1.8277
H3	1.0953	2.1988		3.1143	2.0287	2.6678	2.3926	2.9749
H4	2.1988	1.0953	3.1143		2.6678	2.0287	2.9749	2.3926
F5	1.3757	2.3824	2.0287	2.6678		3.5730	2.6195	3.0409
F6	2.3824	1.3757	2.6678	2.0287	3.5730		3.0409	2.6195
Cl7	1.8277	2.7513	2.3926	2.9749	2.6195	3.0409		4.4103
Cl8	2.7513	1.8277	2.9749	2.3926	3.0409	2.6195	4.4103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.029	C1	C2	F6	109.492
C1	C2	Cl8	109.293	C2	C1	H3	112.029
C2	C1	F5	109.492	C2	C1	Cl7	109.293
H3	C1	F5	109.850	H3	C1	Cl7	107.205
H4	C2	F6	109.850	H4	C2	Cl8	107.205
F5	C1	Cl7	108.900	F6	C2	Cl8	108.900

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

using model chemistry: BLYP/6-311G*

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	-0.036
2	C	-0.036
3	H	0.262
4	H	0.262
5	F	-0.180
6	F	-0.180
7	Cl	-0.046
8	Cl	-0.046

	x	y	z
x	5.558	-1.830	1.118
y	-1.830	8.639	-2.113
z	1.118	-2.113	6.481

<r²>	265.468
(<r²>)^1/2	16.293