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	hartrees
Energy at 0K	-1196.267032
Energy at 298.15K	-1196.270632
HF Energy	-1194.905851
Nuclear repulsion energy	378.427121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3198	2982	0.00
2	A_g	1459	1361	0.00
3	A_g	1354	1263	0.00
4	A_g	1192	1112	0.00
5	A_g	1134	1058	0.00
6	A_g	864	805	0.00
7	A_g	537	501	0.00
8	A_g	389	363	0.00
9	A_g	278	259	0.00
10	A_u	3210	2993	8.93
11	A_u	1376	1283	19.38
12	A_u	1272	1186	36.34
13	A_u	1195	1115	244.34
14	A_u	815	760	190.71
15	A_u	417	389	3.84
16	A_u	378	352	26.39
17	A_u	178	166	0.92
18	A_u	79	73	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.758
C2	0.000	0.000	0.758
H3	1.008	0.000	-1.142
H4	-1.008	0.000	1.142
F5	-0.663	-1.084	-1.197
F6	0.663	1.084	1.197
Cl7	-0.813	1.457	-1.343
Cl8	0.813	-1.457	1.343

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5150	1.0787	2.1504	1.3445	2.3315	1.7683	2.6825
C2	1.5150		2.1504	1.0787	2.3315	1.3445	2.6825	1.7683
H3	1.0787	2.1504		3.0463	1.9922	2.6014	2.3407	2.8872
H4	2.1504	1.0787	3.0463		2.6014	1.9922	2.8872	2.3407
F5	1.3445	2.3315	1.9922	2.6014		3.4918	2.5495	2.9616
F6	2.3315	1.3445	2.6014	1.9922	3.4918		2.9616	2.5495
Cl7	1.7683	2.6825	2.3407	2.8872	2.5495	2.9616		4.2837
Cl8	2.6825	1.7683	2.8872	2.3407	2.9616	2.5495	4.2837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.891	C1	C2	F6	109.098
C1	C2	Cl8	109.332	C2	C1	H3	110.891
C2	C1	F5	109.098	C2	C1	Cl7	109.332
H3	C1	F5	110.119	H3	C1	Cl7	108.155
H4	C2	F6	110.119	H4	C2	Cl8	108.155
F5	C1	Cl7	109.219	F6	C2	Cl8	109.219

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

using model chemistry: MP3=FULL/cc-pVTZ

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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