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	hartrees
Energy at 0K	-1194.409509
Energy at 298.15K	-1194.410095
HF Energy	-1193.517714
Nuclear repulsion energy	349.563440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1826	1699	0.00
2	A_g	1249	1162	0.00
3	A_g	654	608	0.00
4	A_g	439	409	0.00
5	A_g	297	276	0.00
6	A_u	365	340	1.77
7	A_u	135	126	0.44
8	B_g	547	509	0.00
9	B_u	1256	1169	298.98
10	B_u	925	860	167.66
11	B_u	436	405	5.29
12	B_u	180	168	2.61

Atom	x (Å)	y (Å)
C1	-0.052	0.664
C2	0.052	-0.664
F3	-1.259	1.246
F4	1.259	-1.246
Cl5	1.259	1.751
Cl6	-1.259	-1.751

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3325	1.3402	2.3172	1.7033	2.7005
C2	1.3325		2.3172	1.3402	2.7005	1.7033
F3	1.3402	2.3172		3.5433	2.5686	2.9977
F4	2.3172	1.3402	3.5433		2.9977	2.5686
Cl5	1.7033	2.7005	2.5686	2.9977		4.3142
Cl6	2.7005	1.7033	2.9977	2.5686	4.3142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.216	C1	C2	Cl6	125.188
C2	C1	F3	120.216	C2	C1	Cl5	125.188
F3	C1	Cl5	114.596	F4	C2	Cl6	114.596

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

using model chemistry: MP3/6-31+G**

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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