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	hartrees
Energy at 0K	-636.420679
Energy at 298.15K	-636.422782
HF Energy	-635.809795
Nuclear repulsion energy	139.354183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3130	3.60
2	A'	3264	3123	7.56
3	A'	1756	1680	23.50
4	A'	1332	1274	0.16
5	A'	1243	1190	3.91
6	A'	1184	1133	165.55
7	A'	902	863	42.40
8	A'	456	436	2.02
9	A'	273	261	6.71
10	A"	939	899	48.11
11	A"	814	779	12.66
12	A"	278	266	2.10

Atom	x (Å)	y (Å)
C1	0.000	0.484
C2	1.030	-0.370
Cl3	-1.641	-0.088
F4	2.295	0.078
H5	0.136	1.568
H6	0.941	-1.461

	C1	C2	Cl3	F4	H5	H6
C1		1.3377	1.7380	2.3301	1.0927	2.1598
C2	1.3377		2.6859	1.3423	2.1345	1.0937
Cl3	1.7380	2.6859		3.9394	2.4288	2.9244
F4	2.3301	1.3423	3.9394		2.6229	2.0496
H5	1.0927	2.1345	2.4288	2.6229		3.1336
H6	2.1598	1.0937	2.9244	2.0496	3.1336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.788	C1	C2	H6	125.021
C2	C1	Cl3	121.129	C2	C1	H5	122.549
Cl3	C1	H5	116.322	F4	C2	H6	114.192

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

using model chemistry: CCD/cc-pVDZ

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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