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	hartrees
Energy at 0K	-634.243979
Energy at 298.15K	-634.246208
HF Energy	-634.243979
Nuclear repulsion energy	142.605628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3305	3189	7.99
2	A'	3221	3108	3.03
3	A'	1744	1683	36.98
4	A'	1392	1343	18.13
5	A'	1273	1228	18.38
6	A'	1075	1037	58.14
7	A'	769	742	10.65
8	A'	612	591	30.20
9	A'	191	185	1.22
10	A"	971	937	0.08
11	A"	780	752	61.44
12	A"	455	439	9.88

Atom	x (Å)	y (Å)
C1	0.000	0.931
C2	1.244	0.491
Cl3	-1.383	-0.246
F4	1.582	-0.831
H5	-0.281	1.970
H6	2.090	1.166

	C1	C2	Cl3	F4	H5	H6
C1		1.3194	1.8162	2.3682	1.0764	2.1034
C2	1.3194		2.7278	1.3644	2.1244	1.0829
Cl3	1.8162	2.7278		3.0219	2.4755	3.7491
F4	2.3682	1.3644	3.0219		3.3642	2.0607
H5	1.0764	2.1244	2.4755	3.3642		2.5037
H6	2.1034	1.0829	3.7491	2.0607	2.5037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.864	C1	C2	H6	121.917
C2	C1	Cl3	120.079	C2	C1	H5	124.619
Cl3	C1	H5	115.302	F4	C2	H6	114.218

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

using model chemistry: B3LYPultrafine/3-21G

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	-0.483
2	C	0.175
3	Cl	0.074
4	F	-0.250
5	H	0.259
6	H	0.225

	x	y	z	Total
	1.367	2.335	0.000	2.706
CHELPG
AIM
ESP

	x	y	z
x	6.340	0.656	0.000
y	0.656	4.050	0.000
z	0.000	0.000	1.369

<r²>	105.807
(<r²>)^1/2	10.286