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	hartrees
Energy at 0K	-1196.957031
Energy at 298.15K	-1196.960315
HF Energy	-1196.957031
Nuclear repulsion energy	371.717762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3040	3005	0.00
2	A_g	1348	1333	0.00
3	A_g	1257	1242	0.00
4	A_g	1068	1056	0.00
5	A_g	1027	1016	0.00
6	A_g	773	765	0.00
7	A_g	500	494	0.00
8	A_g	354	349	0.00
9	A_g	258	255	0.00
10	A_u	3053	3018	10.03
11	A_u	1280	1265	10.00
12	A_u	1183	1169	33.81
13	A_u	1064	1051	267.49
14	A_u	724	715	242.59
15	A_u	385	381	1.52
16	A_u	360	356	28.45
17	A_u	167	165	1.11
18	A_u	67	66	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.767
C2	0.000	0.000	0.767
H3	1.020	0.000	-1.173
H4	-1.020	0.000	1.173
F5	-0.679	-1.098	-1.223
F6	0.679	1.098	1.223
Cl7	-0.822	1.495	-1.356
Cl8	0.822	-1.495	1.356

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5336	1.0980	2.1917	1.3696	2.3723	1.8045	2.7234
C2	1.5336		2.1917	1.0980	2.3723	1.3696	2.7234	1.8045
H3	1.0980	2.1917		3.1091	2.0239	2.6579	2.3789	2.9447
H4	2.1917	1.0980	3.1091		2.6579	2.0239	2.9447	2.3789
F5	1.3696	2.3723	2.0239	2.6579		3.5574	2.6002	3.0106
F6	2.3723	1.3696	2.6579	2.0239	3.5574		3.0106	2.6002
Cl7	1.8045	2.7234	2.3789	2.9447	2.6002	3.0106		4.3583
Cl8	2.7234	1.8045	2.9447	2.3789	3.0106	2.6002	4.3583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.714	C1	C2	F6	109.465
C1	C2	Cl8	109.071	C2	C1	H3	111.714
C2	C1	F5	109.465	C2	C1	Cl7	109.071
H3	C1	F5	109.717	H3	C1	Cl7	107.583
H4	C2	F6	109.717	H4	C2	Cl8	107.583
F5	C1	Cl7	109.243	F6	C2	Cl8	109.243

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

using model chemistry: PBEPBEultrafine/TZVP

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	-0.000
2	C	-0.000
3	H	0.182
4	H	0.182
5	F	-0.129
6	F	-0.129
7	Cl	-0.053
8	Cl	-0.053

	x	y	z
x	6.198	-1.418	0.973
y	-1.418	8.759	-1.685
z	0.973	-1.685	6.877

<r²>	260.556
(<r²>)^1/2	16.142