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	hartrees
Energy at 0K	-1197.414759
Energy at 298.15K	-1197.417940
HF Energy	-1197.414759
Nuclear repulsion energy	368.118518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3058	3042	0.00
2	A_g	1339	1332	0.00
3	A_g	1260	1253	0.00
4	A_g	1043	1038	0.00
5	A_g	998	993	0.00
6	A_g	756	752	0.00
7	A_g	485	483	0.00
8	A_g	343	341	0.00
9	A_g	252	251	0.00
10	A_u	3069	3053	7.72
11	A_u	1268	1261	10.86
12	A_u	1191	1185	39.58
13	A_u	1022	1017	270.53
14	A_u	698	694	255.98
15	A_u	373	371	1.52
16	A_u	358	356	28.89
17	A_u	163	162	0.95
18	A_u	66	66	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.772
C2	0.000	0.000	0.772
H3	1.016	0.000	-1.189
H4	-1.016	0.000	1.189
F5	-0.681	-1.123	-1.223
F6	0.681	1.123	1.223
Cl7	-0.853	1.485	-1.388
Cl8	0.853	-1.485	1.388

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5438	1.0981	2.2084	1.3885	2.3881	1.8197	2.7561
C2	1.5438		2.2084	1.0981	2.3881	1.3885	2.7561	1.8197
H3	1.0981	2.2084		3.1277	2.0348	2.6814	2.3951	2.9782
H4	2.2084	1.0981	3.1277		2.6814	2.0348	2.9782	2.3951
F5	1.3885	2.3881	2.0348	2.6814		3.5886	2.6189	3.0490
F6	2.3881	1.3885	2.6814	2.0348	3.5886		3.0490	2.6189
Cl7	1.8197	2.7561	2.3951	2.9782	2.6189	3.0490		4.4080
Cl8	2.7561	1.8197	2.9782	2.3951	3.0490	2.6189	4.4080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.324	C1	C2	F6	108.936
C1	C2	Cl8	109.779	C2	C1	H3	112.324
C2	C1	F5	108.936	C2	C1	Cl7	109.779
H3	C1	F5	109.275	H3	C1	Cl7	107.771
H4	C2	F6	109.275	H4	C2	Cl8	107.771
F5	C1	Cl7	108.688	F6	C2	Cl8	108.688

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

using model chemistry: BLYP/6-31+G**

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	-0.037
2	C	-0.037
3	H	0.207
4	H	0.207
5	F	-0.211
6	F	-0.211
7	Cl	0.042
8	Cl	0.042

	x	y	z
x	7.058	-1.394	1.093
y	-1.394	9.493	-1.741
z	1.093	-1.741	7.838

<r²>	265.920
(<r²>)^1/2	16.307