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	hartrees
Energy at 0K	-637.279332
Energy at 298.15K	-637.281609
HF Energy	-637.010593
Nuclear repulsion energy	145.395464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3123	7.08
2	A'	3234	3091	5.47
3	A'	1719	1643	59.98
4	A'	1371	1310	21.22
5	A'	1268	1212	35.58
6	A'	1085	1037	89.21
7	A'	816	780	16.31
8	A'	663	634	23.04
9	A'	198	189	1.34
10	A"	901	861	0.18
11	A"	765	731	43.42
12	A"	462	442	7.36

Atom	x (Å)	y (Å)
C1	0.000	0.866
C2	1.246	0.423
Cl3	-1.377	-0.169
F4	1.560	-0.873
H5	-0.205	1.921
H6	2.102	1.078

	C1	C2	Cl3	F4	H5	H6
C1		1.3226	1.7231	2.3360	1.0746	2.1125
C2	1.3226		2.6896	1.3328	2.0854	1.0777
Cl3	1.7231	2.6896		3.0207	2.3968	3.6961
F4	2.3360	1.3328	3.0207		3.3042	2.0242
H5	1.0746	2.0854	2.3968	3.3042		2.4556
H6	2.1125	1.0777	3.6961	2.0242	2.4556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.206	C1	C2	H6	122.985
C2	C1	Cl3	123.498	C2	C1	H5	120.548
Cl3	C1	H5	115.954	F4	C2	H6	113.808

All results from a given calculation for CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

using model chemistry: B2PLYP=FULL/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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