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	hartrees
Energy at 0K	-636.554990
Energy at 298.15K	-636.557086
HF Energy	-635.843930
Nuclear repulsion energy	140.153614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3102	6.53
2	A'	3267	3094	7.49
3	A'	1717	1626	24.71
4	A'	1340	1269	0.27
5	A'	1270	1203	3.91
6	A'	1172	1110	167.26
7	A'	915	866	51.47
8	A'	459	435	2.21
9	A'	276	262	6.04
10	A"	931	881	71.92
11	A"	792	750	11.96
12	A"	277	262	1.29

Atom	x (Å)	y (Å)
C1	0.000	0.477
C2	1.020	-0.378
Cl3	-1.633	-0.074
F4	2.284	0.064
H5	0.140	1.550
H6	0.934	-1.458

	C1	C2	Cl3	F4	H5	H6
C1		1.3313	1.7231	2.3215	1.0816	2.1488
C2	1.3313		2.6701	1.3395	2.1191	1.0833
Cl3	1.7231	2.6701		3.9195	2.4040	2.9160
F4	2.3215	1.3395	3.9195		2.6085	2.0350
H5	1.0816	2.1191	2.4040	2.6085		3.1107
H6	2.1488	1.0833	2.9160	2.0350	3.1107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.735	C1	C2	H6	125.420
C2	C1	Cl3	121.365	C2	C1	H5	122.530
Cl3	C1	H5	116.105	F4	C2	H6	113.845

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

using model chemistry: MP2=FULL/6-311G*

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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