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	hartrees
Energy at 0K	-90.723850
Energy at 298.15K	-90.727138
HF Energy	-90.723850
Nuclear repulsion energy	134.715595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3145	3037	0.00
2	A_g	1392	1344	0.00
3	A_g	1298	1253	0.00
4	A_g	1105	1067	0.00
5	A_g	1060	1023	0.00
6	A_g	797	770	0.00
7	A_g	502	484	0.00
8	A_g	359	347	0.00
9	A_g	258	249	0.00
10	A_u	3158	3050	24.54
11	A_u	1314	1268	21.90
12	A_u	1212	1171	45.09
13	A_u	1110	1072	291.65
14	A_u	745	719	242.87
15	A_u	388	375	2.40
16	A_u	358	346	30.72
17	A_u	166	160	1.19
18	A_u	64	62	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.776
C2	0.000	0.000	0.776
H3	1.021	0.000	-1.185
H4	-1.021	0.000	1.185
F5	-0.680	-1.106	-1.223
F6	0.680	1.106	1.223
Cl7	-0.840	1.490	-1.376
Cl8	0.840	-1.490	1.376

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5521	1.0997	2.2105	1.3732	2.3838	1.8124	2.7487
C2	1.5521		2.2105	1.0997	2.3838	1.3732	2.7487	1.8124
H3	1.0997	2.2105		3.1277	2.0293	2.6715	2.3915	2.9677
H4	2.2105	1.0997	3.1277		2.6715	2.0293	2.9677	2.3915
F5	1.3732	2.3838	2.0293	2.6715		3.5676	2.6055	3.0350
F6	2.3838	1.3732	2.6715	2.0293	3.5676		3.0350	2.6055
Cl7	1.8124	2.7487	2.3915	2.9677	2.6055	3.0350		4.3899
Cl8	2.7487	1.8124	2.9677	2.3915	3.0350	2.6055	4.3899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.807	C1	C2	F6	109.001
C1	C2	Cl8	109.319	C2	C1	H3	111.807
C2	C1	F5	109.001	C2	C1	Cl7	109.319
H3	C1	F5	109.803	H3	C1	Cl7	107.899
H4	C2	F6	109.803	H4	C2	Cl8	107.899
F5	C1	Cl7	108.966	F6	C2	Cl8	108.966

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

using model chemistry: B3LYP/CEP-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	-0.012
2	C	-0.012
3	H	0.232
4	H	0.232
5	F	-0.140
6	F	-0.140
7	Cl	-0.079
8	Cl	-0.079

	x	y	z
x	5.234	-1.772	1.099
y	-1.772	8.110	-1.767
z	1.099	-1.767	6.066

<r²>	150.997
(<r²>)^1/2	12.288