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	hartrees
Energy at 0K	-51.574491
Energy at 298.15K	-51.576642
HF Energy	-51.574491
Nuclear repulsion energy	57.216016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3132	13.66
2	A'	3203	3093	5.65
3	A'	1725	1666	67.16
4	A'	1323	1278	28.36
5	A'	1238	1195	44.45
6	A'	1067	1030	99.58
7	A'	799	772	23.22
8	A'	638	616	22.05
9	A'	190	184	1.27
10	A"	829	800	0.00
11	A"	732	707	72.45
12	A"	433	418	10.05

Atom	x (Å)	y (Å)
C1	0.000	0.888
C2	1.276	0.419
Cl3	-1.400	-0.165
F4	1.577	-0.897
H5	-0.211	1.958
H6	2.156	1.070

	C1	C2	Cl3	F4	H5	H6
C1		1.3592	1.7516	2.3821	1.0907	2.1640
C2	1.3592		2.7382	1.3500	2.1399	1.0954
Cl3	1.7516	2.7382		3.0654	2.4335	3.7643
F4	2.3821	1.3500	3.0654		3.3688	2.0507
H5	1.0907	2.1399	2.4335	3.3688		2.5281
H6	2.1640	1.0954	3.7643	2.0507	2.5281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.101	C1	C2	H6	123.315
C2	C1	Cl3	122.844	C2	C1	H5	121.335
Cl3	C1	H5	115.821	F4	C2	H6	113.584

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	-0.208
2	C	-0.051
3	Cl	-0.101
4	F	-0.129
5	H	0.274
6	H	0.214

	x	y	z	Total
	1.016	2.216	0.000	2.437
CHELPG
AIM
ESP

	x	y	z
x	7.195	0.363	0.000
y	0.363	4.319	0.000
z	0.000	0.000	2.356

<r²>	74.342
(<r²>)^1/2	8.622