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	hartrees
Energy at 0K	-637.059534
Energy at 298.15K	-637.061804
HF Energy	-637.059534
Nuclear repulsion energy	145.437823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3124	8.69
2	A'	3248	3086	3.93
3	A'	1770	1682	62.00
4	A'	1385	1316	27.17
5	A'	1287	1223	37.13
6	A'	1119	1063	79.04
7	A'	835	793	19.29
8	A'	674	641	21.45
9	A'	197	188	1.18
10	A"	900	856	0.07
11	A"	767	729	44.08
12	A"	464	441	8.67

Atom	x (Å)	y (Å)
C1	0.000	0.866
C2	1.247	0.415
Cl3	-1.377	-0.165
F4	1.558	-0.876
H5	-0.209	1.928
H6	2.111	1.074

	C1	C2	Cl3	F4	H5	H6
C1		1.3265	1.7200	2.3372	1.0826	2.1207
C2	1.3265		2.6874	1.3279	2.1004	1.0858
Cl3	1.7200	2.6874		3.0195	2.3969	3.7006
F4	2.3372	1.3279	3.0195		3.3147	2.0268
H5	1.0826	2.1004	2.3969	3.3147		2.4719
H6	2.1207	1.0858	3.7006	2.0268	2.4719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.405	C1	C2	H6	122.753
C2	C1	Cl3	123.281	C2	C1	H5	121.020
Cl3	C1	H5	115.699	F4	C2	H6	113.842

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

using model chemistry: PBE1PBE/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	-0.378
2	C	0.187
3	Cl	0.021
4	F	-0.245
5	H	0.229
6	H	0.186

	x	y	z	Total
	1.122	1.915	0.000	2.220
CHELPG
AIM
ESP

	x	y	z
x	6.765	0.369	0.000
y	0.369	4.277	0.000
z	0.000	0.000	2.204

<r²>	103.267
(<r²>)^1/2	10.162