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	hartrees
Energy at 0K	-634.324458
Energy at 298.15K	-634.326773
HF Energy	-634.324458
Nuclear repulsion energy	144.927739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	3130	8.46
2	A'	3254	3090	2.69
3	A'	1757	1668	39.66
4	A'	1418	1346	11.81
5	A'	1307	1241	14.36
6	A'	1106	1050	65.41
7	A'	817	776	14.35
8	A'	674	640	23.35
9	A'	197	187	1.49
10	A"	984	934	0.31
11	A"	796	756	61.98
12	A"	479	455	10.29

Atom	x (Å)	y (Å)
C1	0.000	0.885
C2	1.239	0.425
Cl3	-1.369	-0.165
F4	1.550	-0.898
H5	-0.210	1.944
H6	2.096	1.085

	C1	C2	Cl3	F4	H5	H6
C1		1.3221	1.7256	2.3629	1.0787	2.1058
C2	1.3221		2.6744	1.3592	2.0990	1.0814
Cl3	1.7256	2.6744		3.0095	2.4062	3.6838
F4	2.3629	1.3592	3.0095		3.3424	2.0569
H5	1.0787	2.0990	2.4062	3.3424		2.4609
H6	2.1058	1.0814	3.6838	2.0569	2.4609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.574	C1	C2	H6	122.039
C2	C1	Cl3	122.126	C2	C1	H5	121.588
Cl3	C1	H5	116.286	F4	C2	H6	114.387

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

using model chemistry: mPW1PW91/3-21G*

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	-0.447
2	C	0.136
3	Cl	0.049
4	F	-0.266
5	H	0.279
6	H	0.248

	x	y	z	Total
	1.082	2.123	0.000	2.382
CHELPG
AIM
ESP

	x	y	z
x	6.401	0.360	0.000
y	0.360	4.026	0.000
z	0.000	0.000	1.693

<r²>	103.372
(<r²>)^1/2	10.167