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	hartrees
Energy at 0K	-1195.797343
Energy at 298.15K	-1195.800922
HF Energy	-1194.840688
Nuclear repulsion energy	376.831478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3179	3021	0.00
2	A_g	1446	1374	0.00
3	A_g	1376	1308	0.00
4	A_g	1160	1103	0.00
5	A_g	1111	1055	0.00
6	A_g	874	830	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	3190	3031	14.59
11	A_u	1368	1300	33.27
12	A_u	1292	1228	33.82
13	A_u	1143	1086	255.92
14	A_u	819	778	209.18
15	A_u	417	396	3.86
16	A_u	382	363	30.40
17	A_u	180	171	1.48
18	A_u	79	75	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.018	0.000	-1.151
H4	-1.018	0.000	1.151
F5	-0.653	-1.109	-1.201
F6	0.653	1.109	1.201
Cl7	-0.832	1.442	-1.351
Cl8	0.832	-1.442	1.351

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5227	1.0901	2.1665	1.3605	2.3471	1.7661	2.6894
C2	1.5227		2.1665	1.0901	2.3471	1.3605	2.6894	1.7661
H3	1.0901	2.1665		3.0733	2.0067	2.6260	2.3541	2.8937
H4	2.1665	1.0901	3.0733		2.6260	2.0067	2.8937	2.3541
F5	1.3605	2.3471	2.0067	2.6260		3.5214	2.5621	2.9714
F6	2.3471	1.3605	2.6260	2.0067	3.5214		2.9714	2.5621
Cl7	1.7661	2.6894	2.3541	2.8937	2.5621	2.9714		4.2879
Cl8	2.6894	1.7661	2.8937	2.3541	2.9714	2.5621	4.2879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.943	C1	C2	F6	108.857
C1	C2	Cl8	109.496	C2	C1	H3	110.943
C2	C1	F5	108.857	C2	C1	Cl7	109.496
H3	C1	F5	109.454	H3	C1	Cl7	108.699
H4	C2	F6	109.454	H4	C2	Cl8	108.699
F5	C1	Cl7	109.372	F6	C2	Cl8	109.372

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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