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	hartrees
Energy at 0K	-1197.200320
Energy at 298.15K	-1197.203655
HF Energy	-1197.200320
Nuclear repulsion energy	368.920556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3217	3217	0.00
2	A_g	1430	1430	0.00
3	A_g	1327	1327	0.00
4	A_g	1172	1172	0.00
5	A_g	1093	1093	0.00
6	A_g	800	800	0.00
7	A_g	509	509	0.00
8	A_g	361	361	0.00
9	A_g	263	263	0.00
10	A_u	3229	3229	1.58
11	A_u	1331	1331	18.21
12	A_u	1262	1262	33.44
13	A_u	1145	1145	192.51
14	A_u	751	751	205.25
15	A_u	378	378	7.40
16	A_u	352	352	41.40
17	A_u	164	164	2.53
18	A_u	67	67	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.755
C2	0.000	0.000	0.755
H3	1.002	0.000	-1.175
H4	-1.002	0.000	1.175
F5	-0.713	-1.113	-1.195
F6	0.713	1.113	1.195
Cl7	-0.858	1.510	-1.353
Cl8	0.858	-1.510	1.353

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5098	1.0865	2.1747	1.3931	2.3558	1.8368	2.7310
C2	1.5098		2.1747	1.0865	2.3558	1.3931	2.7310	1.8368
H3	1.0865	2.1747		3.0888	2.0444	2.6347	2.4022	2.9483
H4	2.1747	1.0865	3.0888		2.6347	2.0444	2.9483	2.4022
F5	1.3931	2.3558	2.0444	2.6347		3.5640	2.6318	3.0195
F6	2.3558	1.3931	2.6347	2.0444	3.5640		3.0195	2.6318
Cl7	1.8368	2.7310	2.4022	2.9483	2.6318	3.0195		4.4029
Cl8	2.7310	1.8368	2.9483	2.4022	3.0195	2.6318	4.4029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.764	C1	C2	F6	108.428
C1	C2	Cl8	108.993	C2	C1	H3	112.764
C2	C1	F5	108.428	C2	C1	Cl7	108.993
H3	C1	F5	110.463	H3	C1	Cl7	107.738
H4	C2	F6	110.463	H4	C2	Cl8	107.738
F5	C1	Cl7	108.358	F6	C2	Cl8	108.358

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

using model chemistry: M06-2X/6-31G

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	-0.036
2	C	-0.036
3	H	0.260
4	H	0.260
5	F	-0.302
6	F	-0.302
7	Cl	0.077
8	Cl	0.077

	x	y	z
x	4.827	-1.762	1.096
y	-1.762	7.681	-1.834
z	1.096	-1.834	5.047

<r²>	264.404
(<r²>)^1/2	16.260