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	hartrees
Energy at 0K	-305.122835
Energy at 298.15K	-305.126364
HF Energy	-305.122835
Nuclear repulsion energy	206.521298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3429	3085	0.00
2	A_g	1534	1381	0.00
3	A_g	1425	1282	0.00
4	A_g	1236	1112	0.00
5	A_g	1116	1004	0.00
6	A_g	855	770	0.00
7	A_g	530	477	0.00
8	A_g	379	341	0.00
9	A_g	277	249	0.00
10	A_u	3436	3092	6.74
11	A_u	1427	1284	20.69
12	A_u	1372	1235	40.10
13	A_u	1155	1040	292.83
14	A_u	784	706	214.70
15	A_u	402	362	8.56
16	A_u	389	350	54.92
17	A_u	177	160	3.07
18	A_u	72	65	1.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.760
C2	0.000	0.000	0.760
H3	0.986	0.000	-1.178
H4	-0.986	0.000	1.178
F5	-0.691	-1.125	-1.200
F6	0.691	1.125	1.200
Cl7	-0.870	1.476	-1.391
Cl8	0.870	-1.476	1.391

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5199	1.0714	2.1748	1.3915	2.3628	1.8264	2.7503
C2	1.5199		2.1748	1.0714	2.3628	1.3915	2.7503	1.8264
H3	1.0714	2.1748		3.0733	2.0197	2.6472	2.3818	2.9655
H4	2.1748	1.0714	3.0733		2.6472	2.0197	2.9655	2.3818
F5	1.3915	2.3628	2.0197	2.6472		3.5677	2.6147	3.0451
F6	2.3628	1.3915	2.6472	2.0197	3.5677		3.0451	2.6147
Cl7	1.8264	2.7503	2.3818	2.9655	2.6147	3.0451		4.4147
Cl8	2.7503	1.8264	2.9655	2.3818	3.0451	2.6147	4.4147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.984	C1	C2	F6	108.421
C1	C2	Cl8	110.212	C2	C1	H3	112.984
C2	C1	F5	108.421	C2	C1	Cl7	110.212
H3	C1	F5	109.491	H3	C1	Cl7	107.690
H4	C2	F6	109.491	H4	C2	Cl8	107.690
F5	C1	Cl7	107.926	F6	C2	Cl8	107.926

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

using model chemistry: HF/LANL2DZ

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	0.048
2	C	0.048
3	H	0.283
4	H	0.283
5	F	-0.304
6	F	-0.304
7	Cl	-0.027
8	Cl	-0.027

	x	y	z
x	4.046	-1.766	1.106
y	-1.766	6.859	-1.680
z	1.106	-1.680	4.152

<r²>	168.008
(<r²>)^1/2	12.962