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	hartrees
Energy at 0K	-636.816445
Energy at 298.15K	-636.818597
HF Energy	-635.875406
Nuclear repulsion energy	141.112683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3288	2.54
2	A'	3282	3282	11.77
3	A'	1754	1754	28.76
4	A'	1355	1355	0.18
5	A'	1267	1267	2.37
6	A'	1196	1196	186.71
7	A'	920	920	46.39
8	A'	466	466	1.91
9	A'	279	279	6.19
10	A"	952	952	54.29
11	A"	854	854	7.91
12	A"	283	283	1.40

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.015	-0.368
Cl3	-1.621	-0.086
F4	2.266	0.079
H5	0.134	1.543
H6	0.937	-1.443

	C1	C2	Cl3	F4	H5	H6
C1		1.3202	1.7155	2.3006	1.0762	2.1346
C2	1.3202		2.6517	1.3286	2.1048	1.0773
Cl3	1.7155	2.6517		3.8910	2.3946	2.8956
F4	2.3006	1.3286	3.8910		2.5861	2.0212
H5	1.0762	2.1048	2.3946	2.5861		3.0918
H6	2.1346	1.0773	2.8956	2.0212	3.0918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.580	C1	C2	H6	125.529
C2	C1	Cl3	121.193	C2	C1	H5	122.557
Cl3	C1	H5	116.250	F4	C2	H6	113.890

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

using model chemistry: MP3=FULL/6-311+G(3df,2p)

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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