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	hartrees
Energy at 0K	-636.353071
Energy at 298.15K	-636.355166
HF Energy	-635.775778
Nuclear repulsion energy	139.758297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3109	6.04
2	A'	3271	3096	5.62
3	A'	1769	1674	18.44
4	A'	1358	1285	0.15
5	A'	1283	1215	5.65
6	A'	1189	1125	147.47
7	A'	914	865	43.75
8	A'	458	433	2.02
9	A'	278	263	7.15
10	A"	937	887	55.89
11	A"	807	764	10.29
12	A"	278	264	2.52

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.022	-0.375
Cl3	-1.636	-0.088
F4	2.289	0.090
H5	0.130	1.550
H6	0.955	-1.458

	C1	C2	Cl3	F4	H5	H6
C1		1.3286	1.7305	2.3213	1.0837	2.1551
C2	1.3286		2.6735	1.3498	2.1215	1.0851
Cl3	1.7305	2.6735		3.9296	2.4096	2.9304
F4	2.3213	1.3498	3.9296		2.6067	2.0436
H5	1.0837	2.1215	2.4096	2.6067		3.1189
H6	2.1551	1.0851	2.9304	2.0436	3.1189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.144	C1	C2	H6	126.171
C2	C1	Cl3	121.285	C2	C1	H5	122.833
Cl3	C1	H5	115.882	F4	C2	H6	113.685

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

using model chemistry: CCD/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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