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	hartrees
Energy at 0K	-637.088675
Energy at 298.15K	-637.090749
HF Energy	-636.899597
Nuclear repulsion energy	139.782410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3119	8.10
2	A'	3274	3105	5.60
3	A'	1733	1643	23.47
4	A'	1351	1281	0.05
5	A'	1269	1204	5.21
6	A'	1177	1116	159.30
7	A'	892	846	54.31
8	A'	453	430	1.74
9	A'	274	260	6.14
10	A"	941	892	51.71
11	A"	799	758	13.79
12	A"	276	262	1.73

Atom	x (Å)	y (Å)
C1	0.000	0.477
C2	1.026	-0.368
Cl3	-1.637	-0.093
F4	2.289	0.093
H5	0.123	1.551
H6	0.956	-1.448

	C1	C2	Cl3	F4	H5	H6
C1		1.3287	1.7337	2.3209	1.0809	2.1494
C2	1.3287		2.6772	1.3445	2.1204	1.0826
Cl3	1.7337	2.6772		3.9307	2.4084	2.9262
F4	2.3209	1.3445	3.9307		2.6113	2.0371
H5	1.0809	2.1204	2.4084	2.6113		3.1126
H6	2.1494	1.0826	2.9262	2.0371	3.1126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.511	C1	C2	H6	125.789
C2	C1	Cl3	121.339	C2	C1	H5	122.951
Cl3	C1	H5	115.710	F4	C2	H6	113.700

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: B2PLYP=FULL/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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