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	hartrees
Energy at 0K	-1195.630501
Energy at 298.15K	-1195.634071
HF Energy	-1194.721981
Nuclear repulsion energy	376.902491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3215	3004	0.00
2	A_g	1450	1355	0.00
3	A_g	1382	1291	0.00
4	A_g	1171	1094	0.00
5	A_g	1123	1050	0.00
6	A_g	879	822	0.00
7	A_g	529	494	0.00
8	A_g	387	361	0.00
9	A_g	281	262	0.00
10	A_u	3226	3014	15.16
11	A_u	1369	1279	40.80
12	A_u	1293	1208	33.63
13	A_u	1157	1081	223.66
14	A_u	825	771	194.70
15	A_u	412	385	4.15
16	A_u	376	351	30.21
17	A_u	179	167	1.42
18	A_u	82	77	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.759
C2	0.000	0.000	0.759
H3	1.015	0.000	-1.148
H4	-1.015	0.000	1.148
F5	-0.664	-1.116	-1.190
F6	0.664	1.116	1.190
Cl7	-0.830	1.439	-1.352
Cl8	0.830	-1.439	1.352

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5184	1.0865	2.1603	1.3684	2.3425	1.7636	2.6860
C2	1.5184		2.1603	1.0865	2.3425	1.3684	2.6860	1.7636
H3	1.0865	2.1603		3.0642	2.0163	2.6146	2.3481	2.8902
H4	2.1603	1.0865	3.0642		2.6146	2.0163	2.8902	2.3481
F5	1.3684	2.3425	2.0163	2.6146		3.5233	2.5657	2.9659
F6	2.3425	1.3684	2.6146	2.0163	3.5233		2.9659	2.5657
Cl7	1.7636	2.6860	2.3481	2.8902	2.5657	2.9659		4.2831
Cl8	2.6860	1.7636	2.8902	2.3481	2.9659	2.5657	4.2831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.968	C1	C2	F6	108.364
C1	C2	Cl8	109.628	C2	C1	H3	110.968
C2	C1	F5	108.364	C2	C1	Cl7	109.628
H3	C1	F5	109.901	H3	C1	Cl7	108.604
H4	C2	F6	109.901	H4	C2	Cl8	108.604
F5	C1	Cl7	109.359	F6	C2	Cl8	109.359

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

using model chemistry: MP2=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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