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	hartrees
Energy at 0K	-637.127454
Energy at 298.15K	-637.129706
HF Energy	-636.935094
Nuclear repulsion energy	144.465790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3134	7.69
2	A'	3241	3104	4.15
3	A'	1733	1660	60.91
4	A'	1357	1299	24.96
5	A'	1258	1204	36.76
6	A'	1083	1037	85.65
7	A'	815	780	17.79
8	A'	661	633	23.20
9	A'	194	186	1.30
10	A"	888	851	0.15
11	A"	758	726	37.11
12	A"	457	437	7.95

Atom	x (Å)	y (Å)
C1	0.000	0.874
C2	1.255	0.420
Cl3	-1.385	-0.169
F4	1.568	-0.879
H5	-0.206	1.943
H6	2.119	1.086

	C1	C2	Cl3	F4	H5	H6
C1		1.3342	1.7345	2.3523	1.0885	2.1298
C2	1.3342		2.7049	1.3368	2.1102	1.0913
Cl3	1.7345	2.7049		3.0372	2.4194	3.7226
F4	2.3523	1.3368	3.0372		3.3337	2.0412
H5	1.0885	2.1102	2.4194	3.3337		2.4784
H6	2.1298	1.0913	3.7226	2.0412	2.4784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.452	C1	C2	H6	122.510
C2	C1	Cl3	123.101	C2	C1	H5	120.818
Cl3	C1	H5	116.082	F4	C2	H6	114.038

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

using model chemistry: B2PLYP/cc-pVDZ

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	-0.147
2	C	0.257
3	Cl	-0.049
4	F	-0.165
5	H	0.068
6	H	0.035

	x	y	z	Total
	0.947	1.899	0.000	2.122
CHELPG
AIM
ESP

	x	y	z
x	6.797	0.433	0.000
y	0.433	4.373	0.000
z	0.000	0.000	2.241

<r²>	104.583
(<r²>)^1/2	10.227