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	hartrees
Energy at 0K	-636.951555
Energy at 298.15K	-636.953558
HF Energy	-636.832417
Nuclear repulsion energy	136.280195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3319	3319	7.38
2	A'	3299	3299	2.10
3	A'	1713	1713	12.43
4	A'	1346	1346	0.66
5	A'	1257	1257	5.86
6	A'	1090	1090	107.21
7	A'	817	817	51.95
8	A'	422	422	1.99
9	A'	264	264	8.89
10	A"	952	952	79.78
11	A"	828	828	16.46
12	A"	263	263	4.01

Atom	x (Å)	y (Å)
C1	0.000	0.487
C2	1.058	-0.318
Cl3	-1.678	-0.191
F4	2.341	0.229
H5	0.046	1.565
H6	1.058	-1.398

	C1	C2	Cl3	F4	H5	H6
C1		1.3298	1.8095	2.3554	1.0784	2.1619
C2	1.3298		2.7387	1.3950	2.1377	1.0799
Cl3	1.8095	2.7387		4.0408	2.4600	2.9902
F4	2.3554	1.3950	4.0408		2.6557	2.0724
H5	1.0784	2.1377	2.4600	2.6557		3.1309
H6	2.1619	1.0799	2.9902	2.0724	3.1309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.618	C1	C2	H6	127.273
C2	C1	Cl3	120.713	C2	C1	H5	124.849
Cl3	C1	H5	114.437	F4	C2	H6	113.110

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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