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	hartrees
Energy at 0K	-1196.820079
Energy at 298.15K	-1196.823390
HF Energy	-1196.820079
Nuclear repulsion energy	367.770709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3213	3073	0.00
2	A_g	1414	1353	0.00
3	A_g	1319	1261	0.00
4	A_g	1157	1107	0.00
5	A_g	1063	1017	0.00
6	A_g	785	751	0.00
7	A_g	502	481	0.00
8	A_g	354	339	0.00
9	A_g	261	250	0.00
10	A_u	3226	3086	2.82
11	A_u	1323	1266	13.67
12	A_u	1255	1201	30.78
13	A_u	1109	1061	198.63
14	A_u	732	700	222.81
15	A_u	376	360	6.04
16	A_u	355	340	40.36
17	A_u	165	158	2.40
18	A_u	73	70	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.755
C2	0.000	0.000	0.755
H3	1.001	0.000	-1.179
H4	-1.001	0.000	1.179
F5	-0.718	-1.109	-1.204
F6	0.718	1.109	1.204
Cl7	-0.849	1.523	-1.357
Cl8	0.849	-1.523	1.357

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5092	1.0874	2.1771	1.3960	2.3630	1.8449	2.7387
C2	1.5092		2.1771	1.0874	2.3630	1.3960	2.7387	1.8449
H3	1.0874	2.1771		3.0930	2.0464	2.6437	2.4031	2.9621
H4	2.1771	1.0874	3.0930		2.6437	2.0464	2.9621	2.4031
F5	1.3960	2.3630	2.0464	2.6437		3.5760	2.6401	3.0314
F6	2.3630	1.3960	2.6437	2.0464	3.5760		3.0314	2.6401
Cl7	1.8449	2.7387	2.4031	2.9621	2.6401	3.0314		4.4194
Cl8	2.7387	1.8449	2.9621	2.4031	3.0314	2.6401	4.4194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.949	C1	C2	F6	108.794
C1	C2	Cl8	109.073	C2	C1	H3	112.949
C2	C1	F5	108.794	C2	C1	Cl7	109.073
H3	C1	F5	110.368	H3	C1	Cl7	107.238
H4	C2	F6	110.368	H4	C2	Cl8	107.238
F5	C1	Cl7	108.306	F6	C2	Cl8	108.306

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

using model chemistry: HSEh1PBE/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	-0.058
2	C	-0.058
3	H	0.266
4	H	0.266
5	F	-0.282
6	F	-0.282
7	Cl	0.074
8	Cl	0.074

	x	y	z
x	4.794	-1.732	1.133
y	-1.732	7.807	-1.892
z	1.133	-1.892	5.194

<r²>	265.888
(<r²>)^1/2	16.306