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	hartrees
Energy at 0K	-1194.748953
Energy at 298.15K	-1194.752689
HF Energy	-1194.748953
Nuclear repulsion energy	378.788109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3301	2989	0.00
2	A_g	1555	1408	0.00
3	A_g	1443	1307	0.00
4	A_g	1259	1140	0.00
5	A_g	1186	1074	0.00
6	A_g	897	812	0.00
7	A_g	562	509	0.00
8	A_g	407	368	0.00
9	A_g	290	263	0.00
10	A_u	3313	3000	13.95
11	A_u	1460	1322	33.14
12	A_u	1349	1221	54.37
13	A_u	1270	1150	273.32
14	A_u	835	756	258.64
15	A_u	435	394	2.75
16	A_u	400	363	31.27
17	A_u	185	168	1.31
18	A_u	82	74	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.005	0.000	-1.151
H4	-1.005	0.000	1.151
F5	-0.664	-1.063	-1.197
F6	0.664	1.063	1.197
Cl7	-0.806	1.465	-1.352
Cl8	0.806	-1.465	1.352

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5212	1.0781	2.1595	1.3269	2.3244	1.7736	2.6940
C2	1.5212		2.1595	1.0781	2.3244	1.3269	2.6940	1.7736
H3	1.0781	2.1595		3.0557	1.9791	2.5997	2.3381	2.9065
H4	2.1595	1.0781	3.0557		2.5997	1.9791	2.9065	2.3381
F5	1.3269	2.3244	1.9791	2.5997		3.4659	2.5364	2.9697
F6	2.3244	1.3269	2.5997	1.9791	3.4659		2.9697	2.5364
Cl7	1.7736	2.6940	2.3381	2.9065	2.5364	2.9697		4.3002
Cl8	2.6940	1.7736	2.9065	2.3381	2.9697	2.5364	4.3002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.220	C1	C2	F6	109.206
C1	C2	Cl8	109.463	C2	C1	H3	111.220
C2	C1	F5	109.206	C2	C1	Cl7	109.463
H3	C1	F5	110.329	H3	C1	Cl7	107.645
H4	C2	F6	110.329	H4	C2	Cl8	107.645
F5	C1	Cl7	108.935	F6	C2	Cl8	108.935

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

using model chemistry: HF/6-31G(2df,p)

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	0.174
2	C	0.174
3	H	0.192
4	H	0.192
5	F	-0.227
6	F	-0.227
7	Cl	-0.138
8	Cl	-0.138

	x	y	z
x	5.870	-1.221	0.817
y	-1.221	7.693	-1.433
z	0.817	-1.433	6.379

<r²>	252.923
(<r²>)^1/2	15.904