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	hartrees
Energy at 0K	-1183.130277
Energy at 298.15K	-1183.133232
HF Energy	-1183.130277
Nuclear repulsion energy	363.408602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3335	2942	0.00
2	A_g	1501	1324	0.00
3	A_g	1331	1174	0.00
4	A_g	1255	1107	0.00
5	A_g	1067	941	0.00
6	A_g	843	744	0.00
7	A_g	516	455	0.00
8	A_g	360	318	0.00
9	A_g	242	213	0.00
10	A_u	3342	2948	1.82
11	A_u	1401	1236	51.61
12	A_u	1282	1130	76.11
13	A_u	1251	1103	55.31
14	A_u	806	711	151.97
15	A_u	386	340	6.46
16	A_u	359	317	21.04
17	A_u	142	125	4.14
18	A_u	43	38	2.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.797
C2	0.000	0.000	0.797
H3	1.049	0.000	-1.184
H4	-1.049	0.000	1.184
F5	-0.739	-1.033	-1.304
F6	0.739	1.033	1.304
Cl7	-0.720	1.646	-1.313
Cl8	0.720	-1.646	1.313

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5942	1.1181	2.2417	1.3680	2.4557	1.8694	2.7714
C2	1.5942		2.2417	1.1181	2.4557	1.3680	2.7714	1.8694
H3	1.1181	2.2417		3.1638	2.0687	2.7122	2.4201	3.0088
H4	2.2417	1.1181	3.1638		2.7122	2.0687	3.0088	2.4201
F5	1.3680	2.4557	2.0687	2.7122		3.6417	2.6797	3.0586
F6	2.4557	1.3680	2.7122	2.0687	3.6417		3.0586	2.6797
Cl7	1.8694	2.7714	2.4201	3.0088	2.6797	3.0586		4.4508
Cl8	2.7714	1.8694	3.0088	2.4201	3.0586	2.6797	4.4508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.248	C1	C2	F6	111.764
C1	C2	Cl8	106.016	C2	C1	H3	110.248
C2	C1	F5	111.764	C2	C1	Cl7	106.016
H3	C1	F5	112.245	H3	C1	Cl7	105.425
H4	C2	F6	112.245	H4	C2	Cl8	105.425
F5	C1	Cl7	110.778	F6	C2	Cl8	110.778

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

using model chemistry: PBE1PBE/STO-3G

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	0.085
2	C	0.085
3	H	0.127
4	H	0.127
5	F	-0.039
6	F	-0.039
7	Cl	-0.173
8	Cl	-0.173

	x	y	z
x	2.317	-0.969	0.640
y	-0.969	5.172	-1.085
z	0.640	-1.085	2.531

<r²>	269.051
(<r²>)^1/2	16.403