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	hartrees
Energy at 0K	-1197.609853
Energy at 298.15K	-1197.613248
HF Energy	-1197.609853
Nuclear repulsion energy	373.268225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3135	3029	0.00
2	A_g	1415	1367	0.00
3	A_g	1328	1283	0.00
4	A_g	1113	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	3147	3041	15.65
11	A_u	1341	1296	21.55
12	A_u	1250	1208	45.16
13	A_u	1112	1075	277.56
14	A_u	741	716	256.52
15	A_u	397	383	2.10
16	A_u	371	359	30.37
17	A_u	172	166	1.56
18	A_u	71	69	0.75

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	-0.672	-1.093	-1.213
F6	0.672	1.093	1.213
Cl7	-0.824	1.482	-1.365
Cl8	0.824	-1.482	1.365

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5279	1.0885	2.1781	1.3597	2.3569	1.7984	2.7212
C2	1.5279		2.1781	1.0885	2.3569	1.3597	2.7212	1.7984
H3	1.0885	2.1781		3.0860	2.0086	2.6389	2.3673	2.9376
H4	2.1781	1.0885	3.0860		2.6389	2.0086	2.9376	2.3673
F5	1.3597	2.3569	2.0086	2.6389		3.5317	2.5837	3.0055
F6	2.3569	1.3597	2.6389	2.0086	3.5317		3.0055	2.5837
Cl7	1.7984	2.7212	2.3673	2.9376	2.5837	3.0055		4.3525
Cl8	2.7212	1.7984	2.9376	2.3673	3.0055	2.5837	4.3525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.609	C1	C2	F6	109.277
C1	C2	Cl8	109.519	C2	C1	H3	111.609
C2	C1	F5	109.277	C2	C1	Cl7	109.519
H3	C1	F5	109.767	H3	C1	Cl7	107.620
H4	C2	F6	109.767	H4	C2	Cl8	107.620
F5	C1	Cl7	109.002	F6	C2	Cl8	109.002

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

using model chemistry: B3LYPultrafine/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	5.353	-1.709	1.014
y	-1.709	8.068	-1.912
z	1.014	-1.912	6.097

<r²>	259.504
(<r²>)^1/2	16.109