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	hartrees
Energy at 0K	-1196.013443
Energy at 298.15K	-1196.017073
HF Energy	-1194.844956
Nuclear repulsion energy	377.226430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3201	3201	0.00
2	A_g	1461	1461	0.00
3	A_g	1387	1387	0.00
4	A_g	1186	1186	0.00
5	A_g	1135	1135	0.00
6	A_g	881	881	0.00
7	A_g	537	537	0.00
8	A_g	394	394	0.00
9	A_g	282	282	0.00
10	A_u	3211	3211	15.27
11	A_u	1382	1382	41.76
12	A_u	1296	1296	40.22
13	A_u	1186	1186	253.91
14	A_u	830	830	191.79
15	A_u	422	422	4.81
16	A_u	381	381	29.88
17	A_u	181	181	1.44
18	A_u	79	79	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.018	0.000	-1.145
H4	-1.018	0.000	1.145
F5	-0.653	-1.100	-1.199
F6	0.653	1.100	1.199
Cl7	-0.826	1.444	-1.357
Cl8	0.826	-1.444	1.357

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5240	1.0877	2.1619	1.3517	2.3414	1.7672	2.6943
C2	1.5240		2.1619	1.0877	2.3414	1.3517	2.6943	1.7672
H3	1.0877	2.1619		3.0646	2.0011	2.6153	2.3519	2.8958
H4	2.1619	1.0877	3.0646		2.6153	2.0011	2.8958	2.3519
F5	1.3517	2.3414	2.0011	2.6153		3.5066	2.5550	2.9734
F6	2.3414	1.3517	2.6153	2.0011	3.5066		2.9734	2.5550
Cl7	1.7672	2.6943	2.3519	2.8958	2.5550	2.9734		4.2945
Cl8	2.6943	1.7672	2.8958	2.3519	2.9734	2.5550	4.2945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.637	C1	C2	F6	108.870
C1	C2	Cl8	109.681	C2	C1	H3	110.637
C2	C1	F5	108.870	C2	C1	Cl7	109.681
H3	C1	F5	109.758	H3	C1	Cl7	108.590
H4	C2	F6	109.758	H4	C2	Cl8	108.590
F5	C1	Cl7	109.287	F6	C2	Cl8	109.287

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

using model chemistry: MP3=FULL/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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