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	hartrees
Energy at 0K	-1194.054988
Energy at 298.15K	-1194.058353
HF Energy	-1194.054988
Nuclear repulsion energy	379.238209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3005	2981	0.00
2	A_g	1332	1322	0.00
3	A_g	1227	1217	0.00
4	A_g	1114	1105	0.00
5	A_g	1068	1059	0.00
6	A_g	800	793	0.00
7	A_g	515	511	0.00
8	A_g	366	363	0.00
9	A_g	263	261	0.00
10	A_u	3019	2995	7.56
11	A_u	1249	1239	7.43
12	A_u	1158	1149	19.37
13	A_u	1126	1118	242.82
14	A_u	768	761	217.43
15	A_u	393	390	2.46
16	A_u	354	351	22.93
17	A_u	164	163	0.59
18	A_u	70	70	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.754
C2	0.000	0.000	0.754
H3	1.028	0.000	-1.150
H4	-1.028	0.000	1.150
F5	-0.669	-1.082	-1.198
F6	0.669	1.082	1.198
Cl7	-0.807	1.464	-1.316
Cl8	0.807	-1.464	1.316

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5073	1.1017	2.1635	1.3474	2.3295	1.7640	2.6604
C2	1.5073		2.1635	1.1017	2.3295	1.3474	2.6604	1.7640
H3	1.1017	2.1635		3.0850	2.0129	2.6101	2.3535	2.8762
H4	2.1635	1.1017	3.0850		2.6101	2.0129	2.8762	2.3535
F5	1.3474	2.3295	2.0129	2.6101		3.4945	2.5529	2.9397
F6	2.3295	1.3474	2.6101	2.0129	3.4945		2.9397	2.5529
Cl7	1.7640	2.6604	2.3535	2.8762	2.5529	2.9397		4.2551
Cl8	2.6604	1.7640	2.8762	2.3535	2.9397	2.5529	4.2551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.091	C1	C2	F6	109.247
C1	C2	Cl8	108.574	C2	C1	H3	111.091
C2	C1	F5	109.247	C2	C1	Cl7	108.574
H3	C1	F5	110.151	H3	C1	Cl7	108.196
H4	C2	F6	110.151	H4	C2	Cl8	108.196
F5	C1	Cl7	109.546	F6	C2	Cl8	109.546

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

using model chemistry: SVWN/aug-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	0.240
2	C	0.240
3	H	0.245
4	H	0.245
5	F	-0.330
6	F	-0.330
7	Cl	-0.155
8	Cl	-0.155

	x	y	z
x	7.913	-1.139	0.930
y	-1.139	9.926	-1.503
z	0.930	-1.503	8.701

<r²>	250.543
(<r²>)^1/2	15.829