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	hartrees
Energy at 0K	-89.236167
Energy at 298.15K	-89.239856
HF Energy	-89.236167
Nuclear repulsion energy	136.900969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3388	3043	0.00
2	A_g	1558	1399	0.00
3	A_g	1450	1302	0.00
4	A_g	1245	1118	0.00
5	A_g	1186	1065	0.00
6	A_g	910	817	0.00
7	A_g	555	498	0.00
8	A_g	405	364	0.00
9	A_g	287	258	0.00
10	A_u	3399	3052	33.11
11	A_u	1451	1303	49.14
12	A_u	1354	1216	66.44
13	A_u	1249	1121	353.56
14	A_u	853	766	255.82
15	A_u	433	389	5.21
16	A_u	399	358	38.69
17	A_u	184	165	1.67
18	A_u	76	69	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.769
C2	0.000	0.000	0.769
H3	1.007	0.000	-1.167
H4	-1.007	0.000	1.167
F5	-0.659	-1.091	-1.203
F6	0.659	1.091	1.203
Cl7	-0.837	1.450	-1.372
Cl8	0.837	-1.450	1.372

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5387	1.0823	2.1823	1.3464	2.3485	1.7797	2.7186
C2	1.5387		2.1823	1.0823	2.3485	1.3464	2.7186	1.7797
H3	1.0823	2.1823		3.0823	1.9917	2.6320	2.3546	2.9292
H4	2.1823	1.0823	3.0823		2.6320	1.9917	2.9292	2.3546
F5	1.3464	2.3485	1.9917	2.6320		3.5055	2.5528	3.0003
F6	2.3485	1.3464	2.6320	1.9917	3.5055		3.0003	2.5528
Cl7	1.7797	2.7186	2.3546	2.9292	2.5528	3.0003		4.3299
Cl8	2.7186	1.7797	2.9292	2.3546	3.0003	2.5528	4.3299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.553	C1	C2	F6	108.795
C1	C2	Cl8	109.806	C2	C1	H3	111.553
C2	C1	F5	108.795	C2	C1	Cl7	109.806
H3	C1	F5	109.705	H3	C1	Cl7	108.235
H4	C2	F6	109.705	H4	C2	Cl8	108.235
F5	C1	Cl7	108.702	F6	C2	Cl8	108.702

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

using model chemistry: HF/CEP-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	0.150
2	C	0.150
3	H	0.197
4	H	0.197
5	F	-0.230
6	F	-0.230
7	Cl	-0.117
8	Cl	-0.117

	x	y	z
x	4.899	-1.623	0.924
y	-1.623	7.212	-1.543
z	0.924	-1.543	5.402

<r²>	147.772
(<r²>)^1/2	12.156