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	hartrees
Energy at 0K	-1194.047369
Energy at 298.15K	-1194.050739
HF Energy	-1194.047369
Nuclear repulsion energy	379.342036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3005	2972	0.00
2	A_g	1337	1322	0.00
3	A_g	1228	1215	0.00
4	A_g	1121	1108	0.00
5	A_g	1074	1063	0.00
6	A_g	800	792	0.00
7	A_g	516	511	0.00
8	A_g	367	363	0.00
9	A_g	264	261	0.00
10	A_u	3019	2986	8.80
11	A_u	1253	1239	9.79
12	A_u	1159	1146	31.86
13	A_u	1140	1128	236.60
14	A_u	767	759	217.84
15	A_u	394	390	2.30
16	A_u	353	349	23.77
17	A_u	165	164	0.82
18	A_u	69	68	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.754
C2	0.000	0.000	0.754
H3	1.029	0.000	-1.147
H4	-1.029	0.000	1.147
F5	-0.672	-1.076	-1.199
F6	0.672	1.076	1.199
Cl7	-0.799	1.472	-1.312
Cl8	0.799	-1.472	1.312

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5071	1.1015	2.1613	1.3446	2.3285	1.7656	2.6595
C2	1.5071		2.1613	1.1015	2.3285	1.3446	2.6595	1.7656
H3	1.1015	2.1613		3.0819	2.0131	2.6059	2.3525	2.8757
H4	2.1613	1.1015	3.0819		2.6059	2.0131	2.8757	2.3525
F5	1.3446	2.3285	2.0131	2.6059		3.4912	2.5537	2.9373
F6	2.3285	1.3446	2.6059	2.0131	3.4912		2.9373	2.5537
Cl7	1.7656	2.6595	2.3525	2.8757	2.5537	2.9373		4.2555
Cl8	2.6595	1.7656	2.8757	2.3525	2.9373	2.5537	4.2555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.946	C1	C2	F6	109.350
C1	C2	Cl8	108.456	C2	C1	H3	110.946
C2	C1	F5	109.350	C2	C1	Cl7	108.456
H3	C1	F5	110.378	H3	C1	Cl7	108.029
H4	C2	F6	110.378	H4	C2	Cl8	108.029
F5	C1	Cl7	109.643	F6	C2	Cl8	109.643

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

using model chemistry: LSDA/cc-pVTZ

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	0.072
2	C	0.072
3	H	0.129
4	H	0.129
5	F	-0.120
6	F	-0.120
7	Cl	-0.080
8	Cl	-0.080

	x	y	z
x	6.433	-1.398	0.882
y	-1.398	8.787	-1.654
z	0.882	-1.654	7.253

<r²>	250.264
(<r²>)^1/2	15.820