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	hartrees
Energy at 0K	-633.855589
Energy at 298.15K
HF Energy	-633.736550
Nuclear repulsion energy	136.617569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3324	8.53
2	A'	3272	3272	1.36
3	A'	1723	1723	17.73
4	A'	1385	1385	1.24
5	A'	1243	1243	4.28
6	A'	1144	1144	95.33
7	A'	795	795	44.84
8	A'	423	423	2.37
9	A'	264	264	7.05
10	A"	984	984	63.64
11	A"	849	849	38.61
12	A"	269	269	2.58

Atom	x (Å)	y (Å)
C1	0.000	0.519
C2	1.057	-0.275
Cl3	-1.670	-0.221
F4	2.336	0.229
H5	0.018	1.594
H6	1.004	-1.353

	C1	C2	Cl3	F4	H5	H6
C1		1.3220	1.8264	2.3536	1.0751	2.1244
C2	1.3220		2.7274	1.3745	2.1385	1.0794
Cl3	1.8264	2.7274		4.0307	2.4781	2.9038
F4	2.3536	1.3745	4.0307		2.6900	2.0681
H5	1.0751	2.1385	2.4781	2.6900		3.1078
H6	2.1244	1.0794	2.9038	2.0681	3.1078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.566	C1	C2	H6	124.102
C2	C1	Cl3	119.189	C2	C1	H5	125.974
Cl3	C1	H5	114.837	F4	C2	H6	114.332

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

using model chemistry: B2PLYP=FULLultrafine/3-21G

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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