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	hartrees
Energy at 0K	-636.658703
Energy at 298.15K	-636.660819
HF Energy	-635.874883
Nuclear repulsion energy	140.555786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3104	0.95
2	A'	3248	3097	12.98
3	A'	1728	1648	27.91
4	A'	1342	1280	0.32
5	A'	1260	1202	3.82
6	A'	1169	1115	181.23
7	A'	907	865	46.50
8	A'	459	438	1.82
9	A'	276	263	6.08
10	A"	937	894	53.85
11	A"	830	791	7.06
12	A"	277	264	1.38

Atom	x (Å)	y (Å)
C1	0.000	0.479
C2	1.017	-0.370
Cl3	-1.627	-0.087
F4	2.275	0.080
H5	0.133	1.550
H6	0.941	-1.448

	C1	C2	Cl3	F4	H5	H6
C1		1.3248	1.7222	2.3100	1.0792	2.1437
C2	1.3248		2.6591	1.3365	2.1138	1.0801
Cl3	1.7222	2.6591		3.9058	2.4027	2.9061
F4	2.3100	1.3365	3.9058		2.5982	2.0287
H5	1.0792	2.1138	2.4027	2.5982		3.1043
H6	2.1437	1.0801	2.9061	2.0287	3.1043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.454	C1	C2	H6	125.796
C2	C1	Cl3	120.996	C2	C1	H5	122.787
Cl3	C1	H5	116.217	F4	C2	H6	113.750

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

using model chemistry: QCISD/6-311+G(3df,2p)

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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