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	hartrees
Energy at 0K	-637.453336
Energy at 298.15K	-637.455623
HF Energy	-637.453336
Nuclear repulsion energy	145.493430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3125	8.26
2	A'	3230	3090	4.66
3	A'	1748	1672	65.80
4	A'	1362	1303	25.20
5	A'	1272	1217	40.23
6	A'	1099	1052	101.51
7	A'	825	789	20.09
8	A'	670	641	24.52
9	A'	198	189	1.37
10	A"	907	868	0.01
11	A"	764	731	52.32
12	A"	467	447	10.92

Atom	x (Å)	y (Å)
C1	0.000	0.863
C2	1.245	0.419
Cl3	-1.378	-0.169
F4	1.563	-0.869
H5	-0.213	1.920
H6	2.101	1.082

	C1	C2	Cl3	F4	H5	H6
C1		1.3220	1.7213	2.3332	1.0790	2.1127
C2	1.3220		2.6887	1.3272	2.0932	1.0826
Cl3	1.7213	2.6887		3.0239	2.3917	3.6975
F4	2.3332	1.3272	3.0239		3.3074	2.0244
H5	1.0790	2.0932	2.3917	3.3074		2.4617
H6	2.1127	1.0826	3.6975	2.0244	2.4617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.456	C1	C2	H6	122.635
C2	C1	Cl3	123.599	C2	C1	H5	121.006
Cl3	C1	H5	115.395	F4	C2	H6	113.909

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

using model chemistry: mPW1PW91/6-311G**

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	-0.309
2	C	0.203
3	Cl	-0.023
4	F	-0.192
5	H	0.187
6	H	0.134

	x	y	z	Total
	1.051	2.011	0.000	2.269
CHELPG
AIM
ESP

	x	y	z
x	7.000	0.506	0.000
y	0.506	4.371	0.000
z	0.000	0.000	2.392

<r²>	103.648
(<r²>)^1/2	10.181