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	hartrees
Energy at 0K	-637.034242
Energy at 298.15K	-637.036398
HF Energy	-637.034242
Nuclear repulsion energy	143.698284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3143	6.32
2	A'	3152	3116	6.75
3	A'	1662	1643	65.85
4	A'	1306	1291	23.89
5	A'	1219	1206	33.80
6	A'	1045	1033	103.44
7	A'	790	781	21.09
8	A'	642	635	21.24
9	A'	189	187	1.17
10	A"	826	817
11	A"	717	709	57.42
12	A"	440	435	7.73

Atom	x (Å)	y (Å)
C1	0.000	0.867
C2	1.263	0.419
Cl3	-1.396	-0.157
F4	1.581	-0.895
H5	-0.204	1.939
H6	2.136	1.077

	C1	C2	Cl3	F4	H5	H6
C1		1.3404	1.7322	2.3676	1.0911	2.1463
C2	1.3404		2.7213	1.3519	2.1125	1.0931
Cl3	1.7322	2.7213		3.0675	2.4123	3.7419
F4	2.3676	1.3519	3.0675		3.3494	2.0486
H5	1.0911	2.1125	2.4123	3.3494		2.4935
H6	2.1463	1.0931	3.7419	2.0486	2.4935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.143	C1	C2	H6	123.448
C2	C1	Cl3	124.182	C2	C1	H5	120.300
Cl3	C1	H5	115.518	F4	C2	H6	113.409

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

using model chemistry: PBEPBEultrafine/6-31+G**

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	-0.228
2	C	0.051
3	Cl	0.059
4	F	-0.251
5	H	0.201
6	H	0.168

	x	y	z	Total
	0.825	2.015	0.000	2.177
CHELPG
AIM
ESP

	x	y	z
x	7.877	0.288	0.000
y	0.288	5.202	0.000
z	0.000	0.000	3.659

<r²>	106.109
(<r²>)^1/2	10.301