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	hartrees
Energy at 0K	-1196.686993
Energy at 298.15K
HF Energy	-1196.509578
Nuclear repulsion energy	364.698082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3221	3221	0.00
2	A_g	1418	1418	0.00
3	A_g	1325	1325	0.00
4	A_g	1145	1145	0.00
5	A_g	1040	1040	0.00
6	A_g	771	771	0.00
7	A_g	494	494	0.00
8	A_g	346	346	0.00
9	A_g	258	258	0.00
10	A_u	3233	3233	2.72
11	A_u	1326	1326	14.69
12	A_u	1262	1262	38.54
13	A_u	1075	1075	184.80
14	A_u	710	710	211.05
15	A_u	368	368	8.10
16	A_u	354	354	38.58
17	A_u	165	165	2.50
18	A_u	72	72	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.757
C2	0.000	0.000	0.757
H3	0.997	0.000	-1.187
H4	-0.997	0.000	1.187
F5	-0.723	-1.124	-1.207
F6	0.723	1.124	1.207
Cl7	-0.866	1.529	-1.376
Cl8	0.866	-1.529	1.376

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5143	1.0855	2.1844	1.4100	2.3753	1.8632	2.7638
C2	1.5143		2.1844	1.0855	2.3753	1.4100	2.7638	1.8632
H3	1.0855	2.1844		3.0996	2.0546	2.6582	2.4177	2.9870
H4	2.1844	1.0855	3.0996		2.6582	2.0546	2.9870	2.4177
F5	1.4100	2.3753	2.0546	2.6582		3.6010	2.6627	3.0590
F6	2.3753	1.4100	2.6582	2.0546	3.6010		3.0590	2.6627
Cl7	1.8632	2.7638	2.4177	2.9870	2.6627	3.0590		4.4640
Cl8	2.7638	1.8632	2.9870	2.4177	3.0590	2.6627	4.4640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.300	C1	C2	F6	108.587
C1	C2	Cl8	109.398	C2	C1	H3	113.300
C2	C1	F5	108.587	C2	C1	Cl7	109.398
H3	C1	F5	110.161	H3	C1	Cl7	107.190
H4	C2	F6	110.161	H4	C2	Cl8	107.190
F5	C1	Cl7	108.077	F6	C2	Cl8	108.077

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

using model chemistry: B2PLYP=FULLultrafine/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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