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	hartrees
Energy at 0K	-1183.422721
Energy at 298.15K	-1183.425339
HF Energy	-1183.422721
Nuclear repulsion energy	355.105497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3150	2914	0.00
2	A_g	1423	1317	0.00
3	A_g	1242	1149	0.00
4	A_g	1191	1102	0.00
5	A_g	948	877	0.00
6	A_g	744	688	0.00
7	A_g	476	440	0.00
8	A_g	327	302	0.00
9	A_g	219	202	0.00
10	A_u	3157	2921	7.53
11	A_u	1333	1234	45.59
12	A_u	1218	1127	86.89
13	A_u	1168	1081	47.46
14	A_u	703	650	153.72
15	A_u	355	329	5.27
16	A_u	334	309	17.46
17	A_u	130	121	4.62
18	A_u	36	34	3.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.815
C2	0.000	0.000	0.815
H3	1.057	0.000	-1.214
H4	-1.057	0.000	1.214
F5	-0.764	-1.028	-1.338
F6	0.764	1.028	1.338
Cl7	-0.719	1.718	-1.328
Cl8	0.719	-1.718	1.328

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.6308	1.1302	2.2887	1.3831	2.5051	1.9317	2.8395
C2	1.6308		2.2887	1.1302	2.5051	1.3831	2.8395	1.9317
H3	1.1302	2.2887		3.2205	2.0953	2.7667	2.4737	3.0872
H4	2.2887	1.1302	3.2205		2.7667	2.0953	3.0872	2.4737
F5	1.3831	2.5051	2.0953	2.7667		3.7037	2.7463	3.1275
F6	2.5051	1.3831	2.7667	2.0953	3.7037		3.1275	2.7463
Cl7	1.9317	2.8395	2.4737	3.0872	2.7463	3.1275		4.5748
Cl8	2.8395	1.9317	3.0872	2.4737	3.1275	2.7463	4.5748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.675	C1	C2	F6	112.180
C1	C2	Cl8	105.389	C2	C1	H3	110.675
C2	C1	F5	112.180	C2	C1	Cl7	105.389
H3	C1	F5	112.569	H3	C1	Cl7	104.735
H4	C2	F6	112.569	H4	C2	Cl8	104.735
F5	C1	Cl7	110.798	F6	C2	Cl8	110.798

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

using model chemistry: BLYP/STO-3G

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	0.075
2	C	0.075
3	H	0.115
4	H	0.115
5	F	-0.006
6	F	-0.006
7	Cl	-0.184
8	Cl	-0.184

	x	y	z
x	2.480	-1.081	0.769
y	-1.081	5.920	-1.302
z	0.769	-1.302	2.955

<r²>	281.032
(<r²>)^1/2	16.764