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	hartrees
Energy at 0K	-637.309512
Energy at 298.15K	-637.311778
HF Energy	-637.309512
Nuclear repulsion energy	145.602318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3131	8.34
2	A'	3207	3083	4.06
3	A'	1741	1674	59.92
4	A'	1358	1306	23.64
5	A'	1272	1222	41.70
6	A'	1099	1056	68.04
7	A'	821	790	17.25
8	A'	668	643	21.54
9	A'	195	187	1.13
10	A"	896	862	0.19
11	A"	762	732	35.35
12	A"	463	445	6.83

Atom	x (Å)	y (Å)
C1	0.000	0.865
C2	1.246	0.413
Cl3	-1.376	-0.167
F4	1.559	-0.871
H5	-0.210	1.926
H6	2.108	1.074

	C1	C2	Cl3	F4	H5	H6
C1		1.3253	1.7205	2.3333	1.0813	2.1180
C2	1.3253		2.6857	1.3218	2.0996	1.0859
Cl3	1.7205	2.6857		3.0183	2.3959	3.6985
F4	2.3333	1.3218	3.0183		3.3094	2.0210
H5	1.0813	2.0996	2.3959	3.3094		2.4695
H6	2.1180	1.0859	3.6985	2.0210	2.4695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.627	C1	C2	H6	122.584
C2	C1	Cl3	123.191	C2	C1	H5	121.149
Cl3	C1	H5	115.660	F4	C2	H6	113.789

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

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.216
2	C	0.055
3	Cl	-0.096
4	F	-0.075
5	H	0.180
6	H	0.152

	x	y	z	Total
	1.071	1.821	0.000	2.113
CHELPG
AIM
ESP

	x	y	z
x	7.233	0.338	0.000
y	0.338	4.737	0.000
z	0.000	0.000	2.965

<r²>	103.062
(<r²>)^1/2	10.152