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	hartrees
Energy at 0K	-1195.842393
Energy at 298.15K	-1195.846011
HF Energy	-1194.844679
Nuclear repulsion energy	376.703940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3174	3032	0.00
2	A_g	1457	1391	0.00
3	A_g	1385	1323	0.00
4	A_g	1178	1125	0.00
5	A_g	1130	1079	0.00
6	A_g	882	842	0.00
7	A_g	534	510	0.00
8	A_g	392	375	0.00
9	A_g	281	269	0.00
10	A_u	3185	3042	16.54
11	A_u	1379	1317	41.63
12	A_u	1294	1236	40.52
13	A_u	1175	1122	251.42
14	A_u	829	791	188.57
15	A_u	420	401	4.79
16	A_u	382	365	29.87
17	A_u	181	173	1.44
18	A_u	78	75	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.763
C2	0.000	0.000	0.763
H3	1.020	0.000	-1.148
H4	-1.020	0.000	1.148
F5	-0.652	-1.105	-1.200
F6	0.652	1.105	1.200
Cl7	-0.829	1.442	-1.361
Cl8	0.829	-1.442	1.361

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5266	1.0897	2.1660	1.3552	2.3456	1.7676	2.6984
C2	1.5266		2.1660	1.0897	2.3456	1.3552	2.6984	1.7676
H3	1.0897	2.1660		3.0705	2.0043	2.6210	2.3544	2.9001
H4	2.1660	1.0897	3.0705		2.6210	2.0043	2.9001	2.3544
F5	1.3552	2.3456	2.0043	2.6210		3.5137	2.5580	2.9783
F6	2.3456	1.3552	2.6210	2.0043	3.5137		2.9783	2.5580
Cl7	1.7676	2.6984	2.3544	2.9001	2.5580	2.9783		4.2989
Cl8	2.6984	1.7676	2.9001	2.3544	2.9783	2.5580	4.2989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.658	C1	C2	F6	108.815
C1	C2	Cl8	109.778	C2	C1	H3	110.658
C2	C1	F5	108.815	C2	C1	Cl7	109.778
H3	C1	F5	109.645	H3	C1	Cl7	108.644
H4	C2	F6	109.645	H4	C2	Cl8	108.644
F5	C1	Cl7	109.283	F6	C2	Cl8	109.283

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

using model chemistry: CCD/6-311G**

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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