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	hartrees
Energy at 0K	-635.720539
Energy at 298.15K	-635.722892
HF Energy	-635.720539
Nuclear repulsion energy	142.726628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3490	3142	10.01
2	A'	3457	3113	8.32
3	A'	1871	1684	52.45
4	A'	1459	1314	29.18
5	A'	1350	1216	17.42
6	A'	1099	990	125.93
7	A'	811	730	14.68
8	A'	655	590	34.33
9	A'	208	187	2.57
10	A"	1063	958	0.20
11	A"	857	772	69.69
12	A"	480	432	11.66

Atom	x (Å)	y (Å)
C1	0.000	0.886
C2	1.253	0.480
Cl3	-1.403	-0.217
F4	1.610	-0.841
H5	-0.256	1.922
H6	2.097	1.136

	C1	C2	Cl3	F4	H5	H6
C1		1.3166	1.7847	2.3611	1.0665	2.1120
C2	1.3166		2.7454	1.3686	2.0865	1.0693
Cl3	1.7847	2.7454		3.0768	2.4265	3.7524
F4	2.3611	1.3686	3.0768		3.3337	2.0359
H5	1.0665	2.0865	2.4265	3.3337		2.4811
H6	2.1120	1.0693	3.7524	2.0359	2.4811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.105	C1	C2	H6	124.218
C2	C1	Cl3	123.855	C2	C1	H5	121.866
Cl3	C1	H5	114.279	F4	C2	H6	112.677

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

using model chemistry: HF/SDD

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	-0.316
2	C	0.215
3	Cl	-0.057
4	F	-0.323
5	H	0.255
6	H	0.226

	x	y	z	Total
	1.071	3.281	0.000	3.451
CHELPG
AIM
ESP

	x	y	z
x	6.541	0.424	0.000
y	0.424	3.759	0.000
z	0.000	0.000	1.665

<r²>	107.358
(<r²>)^1/2	10.361