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	hartrees
Energy at 0K	-1189.349778
Energy at 298.15K	-1189.352957
HF Energy	-1188.836401
Nuclear repulsion energy	363.271227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3225	3078	0.00
2	A_g	1453	1386	0.00
3	A_g	1330	1269	0.00
4	A_g	1148	1095	0.00
5	A_g	1072	1023	0.00
6	A_g	752	718	0.00
7	A_g	488	465	0.00
8	A_g	330	315	0.00
9	A_g	252	241	0.00
10	A_u	3239	3091	3.67
11	A_u	1359	1297	17.30
12	A_u	1270	1212	48.12
13	A_u	1156	1103	160.19
14	A_u	690	659	191.14
15	A_u	352	336	15.09
16	A_u	333	318	27.88
17	A_u	156	149	3.19
18	A_u	68	65	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.757
C2	0.000	0.000	0.757
H3	1.003	0.000	-1.172
H4	-1.003	0.000	1.172
F5	-0.772	-1.057	-1.228
F6	0.772	1.057	1.228
Cl7	-0.789	1.638	-1.321
Cl8	0.789	-1.638	1.321

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5145	1.0850	2.1741	1.3910	2.3782	1.9036	2.7614
C2	1.5145		2.1741	1.0850	2.3782	1.3910	2.7614	1.9036
H3	1.0850	2.1741		3.0845	2.0663	2.6327	2.4322	2.9905
H4	2.1741	1.0850	3.0845		2.6327	2.0663	2.9905	2.4322
F5	1.3910	2.3782	2.0663	2.6327		3.5899	2.6965	3.0455
F6	2.3782	1.3910	2.6327	2.0663	3.5899		3.0455	2.6965
Cl7	1.9036	2.7614	2.4322	2.9905	2.6965	3.0455		4.4949
Cl8	2.7614	1.9036	2.9905	2.4322	3.0455	2.6965	4.4949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.460	C1	C2	F6	109.802
C1	C2	Cl8	107.229	C2	C1	H3	112.460
C2	C1	F5	109.802	C2	C1	Cl7	107.229
H3	C1	F5	112.552	H3	C1	Cl7	105.657
H4	C2	F6	112.552	H4	C2	Cl8	105.657
F5	C1	Cl7	108.867	F6	C2	Cl8	108.867

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

using model chemistry: MP2/3-21G

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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