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	hartrees
Energy at 0K	-1189.766994
Energy at 298.15K	-1189.770345
HF Energy	-1189.053513
Nuclear repulsion energy	371.350022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3196	3030	0.00
2	A_g	1447	1372	0.00
3	A_g	1379	1308	0.00
4	A_g	1123	1064	0.00
5	A_g	1064	1009	0.00
6	A_g	822	779	0.00
7	A_g	496	470	0.00
8	A_g	362	343	0.00
9	A_g	271	257	0.00
10	A_u	3211	3044	8.13
11	A_u	1370	1299	29.23
12	A_u	1317	1249	24.44
13	A_u	1134	1075	129.94
14	A_u	756	717	205.96
15	A_u	379	359	5.25
16	A_u	352	333	33.33
17	A_u	166	157	2.67
18	A_u	69	65	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.016	0.000	-1.150
H4	-1.016	0.000	1.150
F5	-0.711	-1.126	-1.204
F6	0.711	1.126	1.204
Cl7	-0.810	1.492	-1.346
Cl8	0.810	-1.492	1.346

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5286	1.0870	2.1675	1.4023	2.3766	1.7943	2.7081
C2	1.5286		2.1675	1.0870	2.3766	1.4023	2.7081	1.7943
H3	1.0870	2.1675		3.0696	2.0626	2.6273	2.3663	2.9149
H4	2.1675	1.0870	3.0696		2.6273	2.0626	2.9149	2.3663
F5	1.4023	2.3766	2.0626	2.6273		3.5906	2.6229	2.9919
F6	2.3766	1.4023	2.6273	2.0626	3.5906		2.9919	2.6229
Cl7	1.7943	2.7081	2.3663	2.9149	2.6229	2.9919		4.3324
Cl8	2.7081	1.7943	2.9149	2.3663	2.9919	2.6229	4.3324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.790	C1	C2	F6	108.282
C1	C2	Cl8	108.906	C2	C1	H3	110.790
C2	C1	F5	108.282	C2	C1	Cl7	108.906
H3	C1	F5	111.281	H3	C1	Cl7	107.887
H4	C2	F6	111.281	H4	C2	Cl8	107.887
F5	C1	Cl7	109.667	F6	C2	Cl8	109.667

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

using model chemistry: MP2=FULL/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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