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	hartrees
Energy at 0K	-1194.905174
Energy at 298.15K	-1194.908917
HF Energy	-1194.905174
Nuclear repulsion energy	378.719208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3294	2986	0.00
2	A_g	1552	1407	0.00
3	A_g	1443	1308	0.00
4	A_g	1244	1128	0.00
5	A_g	1180	1069	0.00
6	A_g	900	816	0.00
7	A_g	562	509	0.00
8	A_g	407	369	0.00
9	A_g	290	263	0.00
10	A_u	3307	2998	12.57
11	A_u	1458	1321	26.31
12	A_u	1354	1227	51.15
13	A_u	1248	1131	298.57
14	A_u	838	760	254.43
15	A_u	437	396	3.21
16	A_u	406	368	31.21
17	A_u	186	169	1.10
18	A_u	80	72	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	-0.002	-0.002	-0.761
C2	0.002	0.002	0.761
H3	0.998	-0.002	-1.156
H4	-0.998	0.002	1.156
F5	-0.656	-1.081	-1.195
F6	0.656	1.081	1.195
Cl7	-0.825	1.440	-1.365
Cl8	0.825	-1.440	1.365

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5213	1.0756	2.1598	1.3341	2.3297	1.7667	2.6964
C2	1.5213		2.1598	1.0756	2.3297	1.3341	2.6964	1.7667
H3	1.0756	2.1598		3.0543	1.9754	2.6101	2.3337	2.9074
H4	2.1598	1.0756	3.0543		2.6101	1.9754	2.9074	2.3337
F5	1.3341	2.3297	1.9754	2.6101		3.4786	2.5325	2.9785
F6	2.3297	1.3341	2.6101	1.9754	3.4786		2.9785	2.5325
Cl7	1.7667	2.6964	2.3337	2.9074	2.5325	2.9785		4.2976
Cl8	2.6964	1.7667	2.9074	2.3337	2.9785	2.5325	4.2976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.388	C1	C2	F6	109.174
C1	C2	Cl8	109.963	C2	C1	H3	111.388
C2	C1	F5	109.174	C2	C1	Cl7	109.963
H3	C1	F5	109.653	H3	C1	Cl7	107.902
H4	C2	F6	109.653	H4	C2	Cl8	107.902
F5	C1	Cl7	108.714	F6	C2	Cl8	108.714

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

using model chemistry: HF/Def2TZVPP

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	0.291
2	C	0.291
3	H	0.068
4	H	0.068
5	F	-0.241
6	F	-0.241
7	Cl	-0.118
8	Cl	-0.118

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

	x	y	z
x	6.157	-1.175	0.855
y	-1.175	7.959	-1.375
z	0.855	-1.375	6.641

<r²>	253.154
(<r²>)^1/2	15.911