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	hartrees
Energy at 0K	-1194.486463
Energy at 298.15K	-1194.487089
HF Energy	-1193.564822
Nuclear repulsion energy	348.981169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1831	1735	0.00
2	A_g	1262	1196	0.00
3	A_g	653	619	0.00
4	A_g	437	414	0.00
5	A_g	295	280	0.00
6	A_u	383	363	1.70
7	A_u	139	132	0.20
8	B_g	564	535	0.00
9	B_u	1285	1218	307.03
10	B_u	907	859	174.11
11	B_u	433	410	3.57
12	B_u	180	170	2.48

Atom	x (Å)	y (Å)
C1	-0.068	0.666
C2	0.068	-0.666
F3	-1.263	1.244
F4	1.263	-1.244
Cl5	1.263	1.753
Cl6	-1.263	-1.753

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3397	1.3274	2.3287	1.7185	2.6983
C2	1.3397		2.3287	1.3274	2.6983	1.7185
F3	1.3274	2.3287		3.5461	2.5772	2.9970
F4	2.3287	1.3274	3.5461		2.9970	2.5772
Cl5	1.7185	2.6983	2.5772	2.9970		4.3213
Cl6	2.6983	1.7185	2.9970	2.5772	4.3213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.645	C1	C2	Cl6	123.372
C2	C1	F3	121.645	C2	C1	Cl5	123.372
F3	C1	Cl5	114.983	F4	C2	Cl6	114.983

All results from a given calculation for CFClCClF (trans-1,2-dichloro-1,2-difluoroethylene)

using model chemistry: MP3/cc-pVDZ

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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