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	hartrees
Energy at 0K	-1195.111716
Energy at 298.15K	-1195.115020
HF Energy	-1194.578337
Nuclear repulsion energy	363.729879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3210	3210	0.00
2	A_g	1431	1431	0.00
3	A_g	1341	1341	0.00
4	A_g	1157	1157	0.00
5	A_g	1068	1068	0.00
6	A_g	790	790	0.00
7	A_g	497	497	0.00
8	A_g	353	353	0.00
9	A_g	258	258	0.00
10	A_u	3221	3221	2.89
11	A_u	1331	1331	20.91
12	A_u	1275	1275	33.89
13	A_u	1097	1097	159.10
14	A_u	727	727	159.60
15	A_u	374	374	10.31
16	A_u	355	355	39.31
17	A_u	165	165	2.26
18	A_u	74	74	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.760
C2	0.000	0.000	0.760
H3	1.002	0.000	-1.188
H4	-1.002	0.000	1.188
F5	-0.715	-1.139	-1.202
F6	0.715	1.139	1.202
Cl7	-0.887	1.512	-1.395
Cl8	0.887	-1.512	1.395

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5209	1.0893	2.1910	1.4155	2.3794	1.8636	2.7777
C2	1.5209		2.1910	1.0893	2.3794	1.4155	2.7777	1.8636
H3	1.0893	2.1910		3.1082	2.0600	2.6637	2.4276	2.9949
H4	2.1910	1.0893	3.1082		2.6637	2.0600	2.9949	2.4276
F5	1.4155	2.3794	2.0600	2.6637		3.6080	2.6633	3.0737
F6	2.3794	1.4155	2.6637	2.0600	3.6080		3.0737	2.6633
Cl7	1.8636	2.7777	2.4276	2.9949	2.6633	3.0737		4.4793
Cl8	2.7777	1.8636	2.9949	2.4276	3.0737	2.6633	4.4793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.120	C1	C2	F6	108.197
C1	C2	Cl8	109.899	C2	C1	H3	113.120
C2	C1	F5	108.197	C2	C1	Cl7	109.899
H3	C1	F5	109.974	H3	C1	Cl7	107.689
H4	C2	F6	109.974	H4	C2	Cl8	107.689
F5	C1	Cl7	107.840	F6	C2	Cl8	107.840

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

using model chemistry: MP3=FULL/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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