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	hartrees
Energy at 0K	-637.131897
Energy at 298.15K	-637.134071
HF Energy	-637.131897
Nuclear repulsion energy	144.424970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3122	6.55
2	A'	3124	3089	5.51
3	A'	1652	1633	62.61
4	A'	1301	1286	20.48
5	A'	1210	1197	36.69
6	A'	1040	1028	87.85
7	A'	788	779	18.17
8	A'	643	636	21.28
9	A'	188	186	1.13
10	A"	838	829	0.41
11	A"	717	709	46.04
12	A"	443	439	6.35

Atom	x (Å)	y (Å)
C1	0.000	0.867
C2	1.255	0.419
Cl3	-1.388	-0.161
F4	1.571	-0.888
H5	-0.204	1.934
H6	2.123	1.079

	C1	C2	Cl3	F4	H5	H6
C1		1.3326	1.7268	2.3550	1.0869	2.1336
C2	1.3326		2.7058	1.3444	2.1033	1.0902
Cl3	1.7268	2.7058		3.0466	2.4068	3.7232
F4	2.3550	1.3444	3.0466		3.3336	2.0427
H5	1.0869	2.1033	2.4068	3.3336		2.4788
H6	2.1336	1.0902	3.7232	2.0427	2.4788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.214	C1	C2	H6	123.126
C2	C1	Cl3	123.850	C2	C1	H5	120.419
Cl3	C1	H5	115.731	F4	C2	H6	113.661

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	-0.325
2	C	-0.105
3	Cl	-0.091
4	F	-0.290
5	H	0.347
6	H	0.463

	x	y	z	Total
	0.782	1.831	0.000	1.991
CHELPG
AIM
ESP

	x	y	z
x	8.558	0.329	0.000
y	0.329	6.019	0.000
z	0.000	0.000	4.632

<r²>	105.069
(<r²>)^1/2	10.250