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	hartrees
Energy at 0K	-636.628945
Energy at 298.15K	-636.631053
HF Energy	-635.874659
Nuclear repulsion energy	140.746822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3079	0.73
2	A'	3257	3072	14.94
3	A'	1697	1601	27.55
4	A'	1332	1256	0.57
5	A'	1249	1179	3.47
6	A'	1161	1095	181.07
7	A'	913	861	46.18
8	A'	460	434	1.87
9	A'	274	259	5.79
10	A"	930	877	56.40
11	A"	819	773	7.23
12	A"	277	262	1.09

Atom	x (Å)	y (Å)
C1	0.000	0.480
C2	1.010	-0.381
Cl3	-1.623	-0.069
F4	2.274	0.055
H5	0.148	1.549
H6	0.918	-1.457

	C1	C2	Cl3	F4	H5	H6
C1		1.3277	1.7138	2.3136	1.0792	2.1441
C2	1.3277		2.6517	1.3374	2.1144	1.0799
Cl3	1.7138	2.6517		3.8994	2.3997	2.8954
F4	2.3136	1.3374	3.8994		2.5986	2.0316
H5	1.0792	2.1144	2.3997	2.5986		3.1036
H6	2.1441	1.0799	2.8954	2.0316	3.1036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.478	C1	C2	H6	125.572
C2	C1	Cl3	120.818	C2	C1	H5	122.576
Cl3	C1	H5	116.606	F4	C2	H6	113.949

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

using model chemistry: MP2/6-311+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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