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	hartrees
Energy at 0K	-637.070300
Energy at 298.15K	-637.072462
HF Energy	-637.070300
Nuclear repulsion energy	143.614773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3154	6.23
2	A'	3143	3123	6.32
3	A'	1660	1650	61.67
4	A'	1288	1280	20.50
5	A'	1198	1191	34.86
6	A'	1030	1024	89.75
7	A'	788	783	20.08
8	A'	640	636	20.73
9	A'	187	186	1.16
10	A"	827	822	0.39
11	A"	716	712	47.34
12	A"	440	438	6.15

Atom	x (Å)	y (Å)
C1	0.000	0.871
C2	1.263	0.421
Cl3	-1.395	-0.161
F4	1.578	-0.894
H5	-0.207	1.947
H6	2.139	1.083

	C1	C2	Cl3	F4	H5	H6
C1		1.3409	1.7353	2.3683	1.0954	2.1490
C2	1.3409		2.7209	1.3526	2.1190	1.0977
Cl3	1.7353	2.7209		3.0625	2.4194	3.7461
F4	2.3683	1.3526	3.0625		3.3558	2.0553
H5	1.0954	2.1190	2.4194	3.3558		2.4997
H6	2.1490	1.0977	3.7461	2.0553	2.4997

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.106	C1	C2	H6	123.278
C2	C1	Cl3	123.882	C2	C1	H5	120.524
Cl3	C1	H5	115.594	F4	C2	H6	113.616

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	0.041
2	C	1.266
3	Cl	-0.150
4	F	-0.372
5	H	-0.456
6	H	-0.328

	x	y	z	Total
	0.785	1.883	0.000	2.040
CHELPG
AIM
ESP

	x	y	z
x	8.494	0.328	0.000
y	0.328	5.951	0.000
z	0.000	0.000	4.499

<r²>	106.072
(<r²>)^1/2	10.299