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	hartrees
Energy at 0K	-1196.235519
Energy at 298.15K	-1196.239080
HF Energy	-1194.905203
Nuclear repulsion energy	378.559324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3174	3014	0.00
2	A_g	1427	1355	0.00
3	A_g	1334	1266	0.00
4	A_g	1165	1106	0.00
5	A_g	1108	1052	0.00
6	A_g	858	815	0.00
7	A_g	529	502	0.00
8	A_g	385	365	0.00
9	A_g	277	263	0.00
10	A_u	3187	3026	9.12
11	A_u	1351	1283	15.62
12	A_u	1257	1193	34.42
13	A_u	1152	1094	238.32
14	A_u	813	772	197.76
15	A_u	412	391	3.29
16	A_u	372	354	25.39
17	A_u	177	168	0.89
18	A_u	79	75	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.757
C2	0.000	0.000	0.757
H3	1.010	0.000	-1.143
H4	-1.010	0.000	1.143
F5	-0.664	-1.094	-1.198
F6	0.664	1.094	1.198
Cl7	-0.816	1.451	-1.334
Cl8	0.816	-1.451	1.334

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5132	1.0814	2.1517	1.3536	2.3362	1.7624	2.6727
C2	1.5132		2.1517	1.0814	2.3362	1.3536	2.6727	1.7624
H3	1.0814	2.1517		3.0510	2.0005	2.6072	2.3402	2.8779
H4	2.1517	1.0814	3.0510		2.6072	2.0005	2.8779	2.3402
F5	1.3536	2.3362	2.0005	2.6072		3.5057	2.5532	2.9548
F6	2.3362	1.3536	2.6072	2.0005	3.5057		2.9548	2.5532
Cl7	1.7624	2.6727	2.3402	2.8779	2.5532	2.9548		4.2672
Cl8	2.6727	1.7624	2.8779	2.3402	2.9548	2.5532	4.2672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.961	C1	C2	F6	109.029
C1	C2	Cl8	109.128	C2	C1	H3	110.961
C2	C1	F5	109.029	C2	C1	Cl7	109.128
H3	C1	F5	109.982	H3	C1	Cl7	108.369
H4	C2	F6	109.982	H4	C2	Cl8	108.369
F5	C1	Cl7	109.347	F6	C2	Cl8	109.347

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

using model chemistry: MP2=FULL/cc-pVTZ

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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