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	hartrees
Energy at 0K	-1197.267677
Energy at 298.15K	-1197.271111
HF Energy	-1197.267677
Nuclear repulsion energy	375.023306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3134	3003	0.00
2	A_g	1414	1355	0.00
3	A_g	1324	1269	0.00
4	A_g	1147	1099	0.00
5	A_g	1094	1048	0.00
6	A_g	824	789	0.00
7	A_g	520	498	0.00
8	A_g	371	356	0.00
9	A_g	269	258	0.00
10	A_u	3145	3014	14.50
11	A_u	1335	1279	26.69
12	A_u	1241	1189	37.75
13	A_u	1164	1116	248.32
14	A_u	768	736	238.11
15	A_u	400	383	2.40
16	A_u	367	352	29.56
17	A_u	171	164	1.44
18	A_u	75	72	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.019	0.000	-1.158
H4	-1.019	0.000	1.158
F5	-0.678	-1.085	-1.208
F6	0.678	1.085	1.208
Cl7	-0.807	1.482	-1.352
Cl8	0.807	-1.482	1.352

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5284	1.0925	2.1758	1.3540	2.3509	1.7866	2.7064
C2	1.5284		2.1758	1.0925	2.3509	1.3540	2.7064	1.7866
H3	1.0925	2.1758		3.0853	2.0145	2.6256	2.3596	2.9225
H4	2.1758	1.0925	3.0853		2.6256	2.0145	2.9225	2.3596
F5	1.3540	2.3509	2.0145	2.6256		3.5191	2.5737	2.9861
F6	2.3509	1.3540	2.6256	2.0145	3.5191		2.9861	2.5737
Cl7	1.7866	2.7064	2.3596	2.9225	2.5737	2.9861		4.3241
Cl8	2.7064	1.7866	2.9225	2.3596	2.9861	2.5737	4.3241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.138	C1	C2	F6	109.145
C1	C2	Cl8	109.207	C2	C1	H3	111.138
C2	C1	F5	109.145	C2	C1	Cl7	109.207
H3	C1	F5	110.397	H3	C1	Cl7	107.624
H4	C2	F6	110.397	H4	C2	Cl8	107.624
F5	C1	Cl7	109.294	F6	C2	Cl8	109.294

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

using model chemistry: B3PW91/6-31G**

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	0.066
2	C	0.066
3	H	0.198
4	H	0.198
5	F	-0.250
6	F	-0.250
7	Cl	-0.014
8	Cl	-0.014

	x	y	z
x	5.338	-1.445	0.909
y	-1.445	7.654	-1.673
z	0.909	-1.673	5.901

<r²>	256.148
(<r²>)^1/2	16.005