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	hartrees
Energy at 0K	-637.474365
Energy at 298.15K	-637.476517
HF Energy	-637.474365
Nuclear repulsion energy	143.495377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3144	6.13
2	A'	3123	3112	5.14
3	A'	1632	1626	58.79
4	A'	1309	1304	20.52
5	A'	1211	1207	27.40
6	A'	1017	1013	101.41
7	A'	765	762	15.95
8	A'	624	621	26.75
9	A'	190	189	1.22
10	A"	841	838	0.30
11	A"	717	715	45.07
12	A"	438	437	6.14

Atom	x (Å)	y (Å)
C1	0.000	0.872
C2	1.259	0.436
Cl3	-1.398	-0.174
F4	1.590	-0.879
H5	-0.218	1.934
H6	2.122	1.095

	C1	C2	Cl3	F4	H5	H6
C1		1.3321	1.7460	2.3652	1.0838	2.1341
C2	1.3321		2.7254	1.3560	2.1033	1.0869
Cl3	1.7460	2.7254		3.0695	2.4156	3.7420
F4	2.3652	1.3560	3.0695		3.3436	2.0452
H5	1.0838	2.1033	2.4156	3.3436		2.4858
H6	2.1341	1.0869	3.7420	2.0452	2.4858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.257	C1	C2	H6	123.507
C2	C1	Cl3	124.062	C2	C1	H5	120.719
Cl3	C1	H5	115.218	F4	C2	H6	113.235

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

using model chemistry: BLYP/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	-0.270
2	C	-0.064
3	Cl	-0.085
4	F	-0.329
5	H	0.319
6	H	0.429

	x	y	z	Total
	0.754	1.932	0.000	2.073
CHELPG
AIM
ESP

	x	y	z
x	8.671	0.344	0.000
y	0.344	6.091	-0.000
z	0.000	-0.000	4.694

<r²>	106.421
(<r²>)^1/2	10.316