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	hartrees
Energy at 0K	-1194.576940
Energy at 298.15K	-1194.577538
HF Energy	-1193.625127
Nuclear repulsion energy	350.681887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1768	1680	0.00
2	A_g	1230	1168	0.00
3	A_g	649	617	0.00
4	A_g	438	416	0.00
5	A_g	298	283	0.00
6	A_u	373	354	0.83
7	A_u	137	130	0.34
8	B_g	548	521	0.00
9	B_u	1255	1192	311.27
10	B_u	916	871	185.11
11	B_u	438	416	3.43
12	B_u	183	173	2.56

Atom	x (Å)	y (Å)
C1	-0.064	0.666
C2	0.064	-0.666
F3	-1.260	1.244
F4	1.260	-1.244
Cl5	1.260	1.736
Cl6	-1.260	-1.736

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3391	1.3281	2.3240	1.7016	2.6839
C2	1.3391		2.3240	1.3281	2.6839	1.7016
F3	1.3281	2.3240		3.5407	2.5671	2.9800
F4	2.3240	1.3281	3.5407		2.9800	2.5671
Cl5	1.7016	2.6839	2.5671	2.9800		4.2901
Cl6	2.6839	1.7016	2.9800	2.5671	4.2901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.223	C1	C2	Cl6	123.492
C2	C1	F3	121.223	C2	C1	Cl5	123.492
F3	C1	Cl5	115.285	F4	C2	Cl6	115.285

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

using model chemistry: MP2/6-311G*

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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