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	hartrees
Energy at 0K	-637.249570
Energy at 298.15K	-637.251845
HF Energy	-637.003118
Nuclear repulsion energy	145.481688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3255	5.05
2	A'	3229	3229	7.56
3	A'	1707	1707	62.37
4	A'	1366	1366	21.19
5	A'	1266	1266	35.18
6	A'	1080	1080	92.92
7	A'	820	820	16.71
8	A'	667	667	22.88
9	A'	199	199	1.43
10	A"	902	902	0.29
11	A"	761	761	44.57
12	A"	462	462	7.10

Atom	x (Å)	y (Å)
C1	0.000	0.863
C2	1.247	0.418
Cl3	-1.377	-0.163
F4	1.557	-0.878
H5	-0.198	1.921
H6	2.108	1.070

	C1	C2	Cl3	F4	H5	H6
C1		1.3242	1.7173	2.3359	1.0770	2.1182
C2	1.3242		2.6882	1.3330	2.0854	1.0792
Cl3	1.7173	2.6882		3.0205	2.3948	3.6968
F4	2.3359	1.3330	3.0205		3.3045	2.0240
H5	1.0770	2.0854	2.3948	3.3045		2.4586
H6	2.1182	1.0792	3.6968	2.0240	2.4586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.059	C1	C2	H6	123.280
C2	C1	Cl3	123.707	C2	C1	H5	120.217
Cl3	C1	H5	116.076	F4	C2	H6	113.661

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.334
2	C	0.526
3	Cl	-0.166
4	F	-0.350
5	H	0.156
6	H	0.167

	x	y	z	Total
	0.821	1.974	0.000	2.138
CHELPG
AIM
ESP

	x	y	z
x	8.002	0.275	0.000
y	0.275	5.579	0.000
z	0.000	0.000	4.363

<r²>	103.811
(<r²>)^1/2	10.189