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	hartrees
Energy at 0K	-51.517077
Energy at 298.15K	-51.519186
HF Energy	-51.517077
Nuclear repulsion energy	56.134059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3166	15.01
2	A'	3225	3123	6.63
3	A'	1698	1645	39.87
4	A'	1306	1265	21.15
5	A'	1219	1181	16.98
6	A'	1007	975	98.45
7	A'	755	731	19.26
8	A'	605	586	23.91
9	A'	186	180	1.78
10	A"	862	834	0.69
11	A"	737	714	92.58
12	A"	422	409	10.50

Atom	x (Å)	y (Å)
C1	0.000	0.914
C2	1.287	0.474
Cl3	-1.424	-0.205
F4	1.619	-0.883
H5	-0.259	1.972
H6	2.164	1.127

	C1	C2	Cl3	F4	H5	H6
C1		1.3606	1.8107	2.4188	1.0891	2.1745
C2	1.3606		2.7948	1.3966	2.1529	1.0930
Cl3	1.8107	2.7948		3.1176	2.4690	3.8269
F4	2.4188	1.3966	3.1176		3.4170	2.0820
H5	1.0891	2.1529	2.4690	3.4170		2.5659
H6	2.1745	1.0930	3.8269	2.0820	2.5659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.623	C1	C2	H6	124.444
C2	C1	Cl3	122.961	C2	C1	H5	122.611
Cl3	C1	H5	114.428	F4	C2	H6	112.933

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

using model chemistry: B3LYP/CEP-31G

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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Number	Element	Mulliken
1	C	-0.319
2	C	0.030
3	Cl	-0.017
4	F	-0.181
5	H	0.268
6	H	0.219

	x	y	z	Total
	1.001	2.951	0.000	3.116
CHELPG
AIM
ESP

	x	y	z
x	6.988	0.564	0.000
y	0.564	4.114	0.000
z	0.000	0.000	1.676

<r²>	76.812
(<r²>)^1/2	8.764