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	hartrees
Energy at 0K	-1197.374642
Energy at 298.15K	-1197.377814
HF Energy	-1197.374642
Nuclear repulsion energy	364.898900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3198	3076	0.00
2	A_g	1398	1345	0.00
3	A_g	1297	1248	0.00
4	A_g	1125	1082	0.00
5	A_g	1030	991	0.00
6	A_g	749	720	0.00
7	A_g	486	468	0.00
8	A_g	339	326	0.00
9	A_g	251	242	0.00
10	A_u	3210	3088	3.17
11	A_u	1310	1260	10.70
12	A_u	1235	1188	37.26
13	A_u	1074	1033	198.68
14	A_u	698	672	237.29
15	A_u	360	346	4.84
16	A_u	342	329	41.05
17	A_u	158	152	2.58
18	A_u	69	67	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.758
C2	0.000	0.000	0.758
H3	0.995	0.000	-1.194
H4	-0.995	0.000	1.194
F5	-0.732	-1.113	-1.211
F6	0.732	1.113	1.211
Cl7	-0.858	1.544	-1.359
Cl8	0.858	-1.544	1.359

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5157	1.0860	2.1903	1.4065	2.3768	1.8660	2.7572
C2	1.5157		2.1903	1.0860	2.3768	1.4065	2.7572	1.8660
H3	1.0860	2.1903		3.1075	2.0539	2.6624	2.4174	2.9866
H4	2.1903	1.0860	3.1075		2.6624	2.0539	2.9866	2.4174
F5	1.4065	2.3768	2.0539	2.6624		3.5996	2.6641	3.0523
F6	2.3768	1.4065	2.6624	2.0539	3.5996		3.0523	2.6641
Cl7	1.8660	2.7572	2.4174	2.9866	2.6641	3.0523		4.4577
Cl8	2.7572	1.8660	2.9866	2.4174	3.0523	2.6641	4.4577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.650	C1	C2	F6	108.792
C1	C2	Cl8	108.794	C2	C1	H3	113.650
C2	C1	F5	108.792	C2	C1	Cl7	108.794
H3	C1	F5	110.321	H3	C1	Cl7	106.960
H4	C2	F6	110.321	H4	C2	Cl8	106.960
F5	C1	Cl7	108.170	F6	C2	Cl8	108.170

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

using model chemistry: TPSSh/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	-0.037
2	C	-0.037
3	H	0.261
4	H	0.261
5	F	-0.274
6	F	-0.274
7	Cl	0.051
8	Cl	0.051

	x	y	z
x	4.884	-1.817	1.224
y	-1.817	8.139	-1.996
z	1.224	-1.996	5.364

<r²>	269.640
(<r²>)^1/2	16.421