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	hartrees
Energy at 0K	-1195.813066
Energy at 298.15K	-1195.816659
HF Energy	-1194.844312
Nuclear repulsion energy	376.889095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3179	3020	0.00
2	A_g	1439	1367	0.00
3	A_g	1372	1304	0.00
4	A_g	1160	1103	0.00
5	A_g	1111	1055	0.00
6	A_g	875	831	0.00
7	A_g	530	504	0.00
8	A_g	389	370	0.00
9	A_g	281	267	0.00
10	A_u	3189	3031	15.31
11	A_u	1366	1298	36.41
12	A_u	1285	1221	38.35
13	A_u	1145	1088	252.26
14	A_u	822	781	205.38
15	A_u	417	397	3.83
16	A_u	379	360	29.22
17	A_u	181	172	1.43
18	A_u	79	75	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.019	0.000	-1.147
H4	-1.019	0.000	1.147
F5	-0.655	-1.108	-1.202
F6	0.655	1.108	1.202
Cl7	-0.828	1.443	-1.353
Cl8	0.828	-1.443	1.353

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5239	1.0894	2.1642	1.3601	2.3478	1.7649	2.6902
C2	1.5239		2.1642	1.0894	2.3478	1.3601	2.6902	1.7649
H3	1.0894	2.1642		3.0690	2.0080	2.6226	2.3523	2.8926
H4	2.1642	1.0894	3.0690		2.6226	2.0080	2.8926	2.3523
F5	1.3601	2.3478	2.0080	2.6226		3.5215	2.5611	2.9720
F6	2.3478	1.3601	2.6226	2.0080	3.5215		2.9720	2.5611
Cl7	1.7649	2.6902	2.3523	2.8926	2.5611	2.9720		4.2875
Cl8	2.6902	1.7649	2.8926	2.3523	2.9720	2.5611	4.2875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.713	C1	C2	F6	108.858
C1	C2	Cl8	109.549	C2	C1	H3	110.713
C2	C1	F5	108.858	C2	C1	Cl7	109.549
H3	C1	F5	109.629	H3	C1	Cl7	108.678
H4	C2	F6	109.629	H4	C2	Cl8	108.678
F5	C1	Cl7	109.397	F6	C2	Cl8	109.397

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

using model chemistry: MP2/6-311G**

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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