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	hartrees
Energy at 0K	-1195.970823
Energy at 298.15K	-1195.974418
HF Energy	-1194.748479
Nuclear repulsion energy	378.897413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3200	3200	0.00
2	A_g	1463	1463	0.00
3	A_g	1364	1364	0.00
4	A_g	1206	1206	0.00
5	A_g	1142	1142	0.00
6	A_g	868	868	0.00
7	A_g	539	539	0.00
8	A_g	391	391	0.00
9	A_g	280	280	0.00
10	A_u	3212	3212	8.36
11	A_u	1378	1378	26.37
12	A_u	1278	1278	35.62
13	A_u	1216	1216	220.29
14	A_u	821	821	190.64
15	A_u	416	416	3.61
16	A_u	374	374	25.78
17	A_u	178	178	1.08
18	A_u	80	80	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.759
C2	0.000	0.000	0.759
H3	1.016	0.000	-1.144
H4	-1.016	0.000	1.144
F5	-0.666	-1.077	-1.195
F6	0.666	1.077	1.195
Cl7	-0.806	1.463	-1.335
Cl8	0.806	-1.463	1.335

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5182	1.0861	2.1569	1.3393	2.3287	1.7673	2.6789
C2	1.5182		2.1569	1.0861	2.3287	1.3393	2.6789	1.7673
H3	1.0861	2.1569		3.0591	1.9979	2.5984	2.3448	2.8859
H4	2.1569	1.0861	3.0591		2.5984	1.9979	2.8859	2.3448
F5	1.3393	2.3287	1.9979	2.5984		3.4826	2.5480	2.9529
F6	2.3287	1.3393	2.5984	1.9979	3.4826		2.9529	2.5480
Cl7	1.7673	2.6789	2.3448	2.8859	2.5480	2.9529		4.2773
Cl8	2.6789	1.7673	2.8859	2.3448	2.9529	2.5480	4.2773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.734	C1	C2	F6	109.001
C1	C2	Cl8	109.014	C2	C1	H3	110.734
C2	C1	F5	109.001	C2	C1	Cl7	109.014
H3	C1	F5	110.490	H3	C1	Cl7	108.142
H4	C2	F6	110.490	H4	C2	Cl8	108.142
F5	C1	Cl7	109.433	F6	C2	Cl8	109.433

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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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