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	hartrees
Energy at 0K	-1197.609848
Energy at 298.15K	-1197.613243
HF Energy	-1197.609848
Nuclear repulsion energy	373.257227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3136	3030	0.00
2	A_g	1414	1367	0.00
3	A_g	1327	1282	0.00
4	A_g	1112	1075	0.00
5	A_g	1070	1034	0.00
6	A_g	804	777	0.00
7	A_g	514	497	0.00
8	A_g	366	353	0.00
9	A_g	266	257	0.00
10	A_u	3148	3042	15.65
11	A_u	1341	1296	21.44
12	A_u	1249	1207	45.16
13	A_u	1112	1075	277.67
14	A_u	742	717	256.68
15	A_u	397	383	2.14
16	A_u	372	359	30.33
17	A_u	171	166	1.58
18	A_u	71	69	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.012	0.000	-1.165
H4	-1.012	0.000	1.165
F5	-0.673	-1.093	-1.213
F6	0.673	1.093	1.213
Cl7	-0.823	1.482	-1.364
Cl8	0.823	-1.482	1.364

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5279	1.0885	2.1781	1.3596	2.3570	1.7986	2.7211
C2	1.5279		2.1781	1.0885	2.3570	1.3596	2.7211	1.7986
H3	1.0885	2.1781		3.0860	2.0088	2.6388	2.3673	2.9377
H4	2.1781	1.0885	3.0860		2.6388	2.0088	2.9377	2.3673
F5	1.3596	2.3570	2.0088	2.6388		3.5318	2.5838	3.0055
F6	2.3570	1.3596	2.6388	2.0088	3.5318		3.0055	2.5838
Cl7	1.7986	2.7211	2.3673	2.9377	2.5838	3.0055		4.3526
Cl8	2.7211	1.7986	2.9377	2.3673	3.0055	2.5838	4.3526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.607	C1	C2	F6	109.291
C1	C2	Cl8	109.503	C2	C1	H3	111.607
C2	C1	F5	109.291	C2	C1	Cl7	109.503
H3	C1	F5	109.783	H3	C1	Cl7	107.605
H4	C2	F6	109.783	H4	C2	Cl8	107.605
F5	C1	Cl7	109.004	F6	C2	Cl8	109.004

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

using model chemistry: B3LYP/6-311G*

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	-0.027
2	C	-0.027
3	H	0.272
4	H	0.272
5	F	-0.201
6	F	-0.201
7	Cl	-0.043
8	Cl	-0.043

	x	y	z
x	5.352	-1.709	1.013
y	-1.709	8.072	-1.913
z	1.013	-1.913	6.097

<r²>	259.515
(<r²>)^1/2	16.109