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	hartrees
Energy at 0K	-634.125629
Energy at 298.15K	-634.127879
HF Energy	-634.125629
Nuclear repulsion energy	142.895703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3181	8.38
2	A'	3229	3104	2.88
3	A'	1753	1685	37.83
4	A'	1391	1338	16.82
5	A'	1278	1229	19.97
6	A'	1084	1042	58.14
7	A'	776	746	11.70
8	A'	626	602	28.91
9	A'	192	185	1.20
10	A"	976	938	0.16
11	A"	785	755	68.28
12	A"	461	443	10.60

Atom	x (Å)	y (Å)
C1	0.000	0.922
C2	1.243	0.478
Cl3	-1.383	-0.233
F4	1.582	-0.840
H5	-0.269	1.966
H6	2.089	1.155

	C1	C2	Cl3	F4	H5	H6
C1		1.3199	1.8028	2.3683	1.0779	2.1021
C2	1.3199		2.7211	1.3611	2.1213	1.0837
Cl3	1.8028	2.7211		3.0272	2.4658	3.7400
F4	2.3683	1.3611	3.0272		3.3617	2.0585
H5	1.0779	2.1213	2.4658	3.3617		2.4937
H6	2.1021	1.0837	3.7400	2.0585	2.4937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	124.103	C1	C2	H6	121.673
C2	C1	Cl3	120.461	C2	C1	H5	124.120
Cl3	C1	H5	115.419	F4	C2	H6	114.224

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

using model chemistry: B3PW91/3-21G

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	-0.534
2	C	0.160
3	Cl	0.094
4	F	-0.253
5	H	0.285
6	H	0.248

	x	y	z	Total
	1.368	2.337	0.000	2.707
CHELPG
AIM
ESP

	x	y	z
x	6.327	0.622	0.000
y	0.622	4.013	0.000
z	0.000	0.000	1.382

<r²>	105.617
(<r²>)^1/2	10.277