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	hartrees
Energy at 0K	-637.094031
Energy at 298.15K	-637.096197
HF Energy	-637.094031
Nuclear repulsion energy	144.095989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3132	10.50
2	A'	3125	3093	3.98
3	A'	1669	1651	60.64
4	A'	1316	1303	23.28
5	A'	1227	1214	31.45
6	A'	1053	1042	97.78
7	A'	790	782	19.15
8	A'	644	637	23.40
9	A'	189	187	1.11
10	A"	826	818
11	A"	717	710	53.91
12	A"	445	441	10.45

Atom	x (Å)	y (Å)
C1	0.000	0.869
C2	1.256	0.418
Cl3	-1.392	-0.164
F4	1.580	-0.884
H5	-0.213	1.937
H6	2.124	1.082

	C1	C2	Cl3	F4	H5	H6
C1		1.3348	1.7338	2.3604	1.0890	2.1350
C2	1.3348		2.7121	1.3423	2.1131	1.0928
Cl3	1.7338	2.7121		3.0588	2.4094	3.7312
F4	2.3604	1.3423	3.0588		3.3430	2.0405
H5	1.0890	2.1131	2.4094	3.3430		2.4887
H6	2.1350	1.0928	3.7312	2.0405	2.4887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.697	C1	C2	H6	122.852
C2	C1	Cl3	123.696	C2	C1	H5	121.015
Cl3	C1	H5	115.288	F4	C2	H6	113.451

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

using model chemistry: PBEPBEultrafine/6-311G*

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	-0.393
2	C	0.083
3	Cl	-0.010
4	F	-0.160
5	H	0.265
6	H	0.216

	x	y	z	Total
	1.031	1.874	0.000	2.139
CHELPG
AIM
ESP

	x	y	z
x	7.268	0.558	0.000
y	0.558	4.570	0.000
z	0.000	0.000	2.396

<r²>	105.503
(<r²>)^1/2	10.271