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	hartrees
Energy at 0K	-637.375875
Energy at 298.15K	-637.378145
HF Energy	-637.375875
Nuclear repulsion energy	145.371290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3122	8.79
2	A'	3254	3086	3.88
3	A'	1769	1677	61.68
4	A'	1389	1317	27.14
5	A'	1290	1223	36.02
6	A'	1119	1061	81.90
7	A'	833	789	19.00
8	A'	673	638	22.13
9	A'	198	187	1.20
10	A"	903	857	0.06
11	A"	768	729	44.00
12	A"	464	440	8.69

Atom	x (Å)	y (Å)
C1	0.000	0.866
C2	1.247	0.416
Cl3	-1.378	-0.166
F4	1.561	-0.875
H5	-0.210	1.926
H6	2.109	1.075

	C1	C2	Cl3	F4	H5	H6
C1		1.3258	1.7215	2.3377	1.0812	2.1189
C2	1.3258		2.6894	1.3284	2.0984	1.0843
Cl3	1.7215	2.6894		3.0234	2.3963	3.7010
F4	2.3377	1.3284	3.0234		3.3136	2.0253
H5	1.0812	2.0984	2.3963	3.3136		2.4696
H6	2.1189	1.0843	3.7010	2.0253	2.4696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.459	C1	C2	H6	122.768
C2	C1	Cl3	123.380	C2	C1	H5	120.999
Cl3	C1	H5	115.621	F4	C2	H6	113.773

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

using model chemistry: mPW1PW91/6-31G*

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	-0.375
2	C	0.190
3	Cl	0.019
4	F	-0.249
5	H	0.229
6	H	0.187

	x	y	z	Total
	1.116	1.936	0.000	2.235
CHELPG
AIM
ESP

	x	y	z
x	6.763	0.369	0.000
y	0.369	4.265	0.000
z	0.000	0.000	2.201

<r²>	103.364
(<r²>)^1/2	10.167