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	hartrees
Energy at 0K	-637.405859
Energy at 298.15K	-637.408124
HF Energy	-637.405859
Nuclear repulsion energy	145.438548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3126	6.40
2	A'	3206	3094	5.95
3	A'	1719	1659	65.53
4	A'	1351	1304	22.58
5	A'	1257	1213	41.12
6	A'	1082	1044	89.19
7	A'	815	787	18.11
8	A'	664	641	22.75
9	A'	195	189	1.28
10	A"	896	865	0.39
11	A"	753	726	45.46
12	A"	461	445	6.74

Atom	x (Å)	y (Å)
C1	0.000	0.860
C2	1.246	0.418
Cl3	-1.380	-0.164
F4	1.564	-0.874
H5	-0.203	1.919
H6	2.104	1.077

	C1	C2	Cl3	F4	H5	H6
C1		1.3220	1.7181	2.3353	1.0791	2.1154
C2	1.3220		2.6894	1.3308	2.0867	1.0823
Cl3	1.7181	2.6894		3.0283	2.3930	3.6985
F4	2.3353	1.3308	3.0283		3.3058	2.0250
H5	1.0791	2.0867	2.3930	3.3058		2.4559
H6	2.1154	1.0823	3.6985	2.0250	2.4559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.357	C1	C2	H6	122.935
C2	C1	Cl3	123.899	C2	C1	H5	120.361
Cl3	C1	H5	115.740	F4	C2	H6	113.709

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

using model chemistry: B3PW91/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	-0.312
2	C	-0.064
3	Cl	-0.138
4	F	-0.321
5	H	0.373
6	H	0.462

	x	y	z	Total
	0.830	1.913	0.000	2.085
CHELPG
AIM
ESP

	x	y	z
x	8.196	0.304	0.000
y	0.304	5.721	-0.000
z	0.000	-0.000	4.463

<r²>	103.772
(<r²>)^1/2	10.187