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	hartrees
Energy at 0K	-634.243999
Energy at 298.15K	-634.246230
HF Energy	-634.243999
Nuclear repulsion energy	142.619846

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	3.04
3	A'	1744	1683	36.96
4	A'	1392	1343	18.12
5	A'	1272	1228	18.54
6	A'	1075	1037	57.95
7	A'	769	742	10.68
8	A'	612	591	30.21
9	A'	192	186	1.22
10	A"	972	938	0.07
11	A"	780	753	61.53
12	A"	456	440	9.86

Atom	x (Å)	y (Å)
C1	0.000	0.932
C2	1.243	0.491
Cl3	-1.382	-0.247
F4	1.581	-0.831
H5	-0.281	1.971
H6	2.090	1.165

	C1	C2	Cl3	F4	H5	H6
C1		1.3193	1.8164	2.3682	1.0764	2.1034
C2	1.3193		2.7271	1.3644	2.1248	1.0829
Cl3	1.8164	2.7271		3.0203	2.4761	3.7487
F4	2.3682	1.3644	3.0203		3.3645	2.0607
H5	1.0764	2.1248	2.4761	3.3645		2.5044
H6	2.1034	1.0829	3.7487	2.0607	2.5044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.864	C1	C2	H6	121.924
C2	C1	Cl3	120.009	C2	C1	H5	124.663
Cl3	C1	H5	115.327	F4	C2	H6	114.212

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

using model chemistry: B3LYP/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
	1.369	2.336	0.000	2.708
CHELPG
AIM
ESP

	x	y	z
x	6.338	0.657	0.000
y	0.657	4.053	0.000
z	0.000	0.000	1.369

<r²>	105.763
(<r²>)^1/2	10.284