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	hartrees
Energy at 0K	-1195.607993
Energy at 298.15K	-1195.611566
HF Energy	-1194.718902
Nuclear repulsion energy	376.302456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3205	3008	0.00
2	A_g	1462	1372	0.00
3	A_g	1391	1306	0.00
4	A_g	1182	1109	0.00
5	A_g	1142	1072	0.00
6	A_g	882	828	0.00
7	A_g	534	501	0.00
8	A_g	388	365	0.00
9	A_g	280	263	0.00
10	A_u	3215	3017	11.71
11	A_u	1379	1295	40.32
12	A_u	1297	1218	31.31
13	A_u	1181	1108	228.35
14	A_u	827	776	186.01
15	A_u	413	388	4.89
16	A_u	381	357	32.48
17	A_u	179	168	1.41
18	A_u	82	77	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.016	0.000	-1.154
H4	-1.016	0.000	1.154
F5	-0.663	-1.114	-1.189
F6	0.663	1.114	1.189
Cl7	-0.838	1.440	-1.358
Cl8	0.838	-1.440	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5221	1.0898	2.1683	1.3651	2.3417	1.7694	2.6956
C2	1.5221		2.1683	1.0898	2.3417	1.3651	2.6956	1.7694
H3	1.0898	2.1683		3.0760	2.0153	2.6188	2.3561	2.9014
H4	2.1683	1.0898	3.0760		2.6188	2.0153	2.9014	2.3561
F5	1.3651	2.3417	2.0153	2.6188		3.5182	2.5651	2.9745
F6	2.3417	1.3651	2.6188	2.0153	3.5182		2.9745	2.5651
Cl7	1.7694	2.6956	2.3561	2.9014	2.5651	2.9745		4.2985
Cl8	2.6956	1.7694	2.9014	2.3561	2.9745	2.5651	4.2985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.153	C1	C2	F6	108.281
C1	C2	Cl8	109.733	C2	C1	H3	111.153
C2	C1	F5	108.281	C2	C1	Cl7	109.733
H3	C1	F5	109.846	H3	C1	Cl7	108.642
H4	C2	F6	109.846	H4	C2	Cl8	108.642
F5	C1	Cl7	109.162	F6	C2	Cl8	109.162

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

using model chemistry: MP3/6-31G*

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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