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	hartrees
Energy at 0K	-636.745100
Energy at 298.15K	-636.747212
HF Energy	-635.887079
Nuclear repulsion energy	140.928159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3130	1.59
2	A'	3267	3109	13.65
3	A'	1714	1631	26.78
4	A'	1327	1263	0.76
5	A'	1244	1183	2.27
6	A'	1157	1101	183.97
7	A'	909	865	43.88
8	A'	458	436	1.77
9	A'	270	257	5.80
10	A"	938	893	55.85
11	A"	824	784	8.24
12	A"	280	266	1.13

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.009	-0.377
Cl3	-1.622	-0.074
F4	2.273	0.062
H5	0.148	1.542
H6	0.916	-1.448

	C1	C2	Cl3	F4	H5	H6
C1		1.3224	1.7134	2.3107	1.0735	2.1328
C2	1.3224		2.6478	1.3382	2.1026	1.0748
Cl3	1.7134	2.6478		3.8971	2.3966	2.8858
F4	2.3107	1.3382	3.8971		2.5892	2.0295
H5	1.0735	2.1026	2.3966	2.5892		3.0863
H6	2.1328	1.0748	2.8858	2.0295	3.0863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.570	C1	C2	H6	125.361
C2	C1	Cl3	120.890	C2	C1	H5	122.363
Cl3	C1	H5	116.747	F4	C2	H6	114.069

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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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