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	hartrees
Energy at 0K	-51.526400
Energy at 298.15K	-51.528560
HF Energy	-51.526400
Nuclear repulsion energy	56.383502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3152	8.76
2	A'	3198	3117	6.10
3	A'	1672	1629	43.39
4	A'	1325	1291	22.19
5	A'	1230	1199	15.61
6	A'	1005	980	99.63
7	A'	757	738	18.60
8	A'	611	596	26.07
9	A'	187	183	1.79
10	A"	886	863	0.22
11	A"	750	730	76.12
12	A"	427	416	8.66

Atom	x (Å)	y (Å)
C1	0.000	0.906
C2	1.275	0.484
Cl3	-1.419	-0.213
F4	1.622	-0.869
H5	-0.262	1.956
H6	2.142	1.138

	C1	C2	Cl3	F4	H5	H6
C1		1.3429	1.8068	2.4037	1.0831	2.1549
C2	1.3429		2.7830	1.3969	2.1285	1.0857
Cl3	1.8068	2.7830		3.1106	2.4583	3.8089
F4	2.4037	1.3969	3.1106		3.3957	2.0729
H5	1.0831	2.1285	2.4583	3.3957		2.5402
H6	2.1549	1.0857	3.8089	2.0729	2.5402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.633	C1	C2	H6	124.735
C2	C1	Cl3	123.486	C2	C1	H5	122.291
Cl3	C1	H5	114.223	F4	C2	H6	112.632

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

using model chemistry: B3LYP/CEP-121G

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	-0.345
2	C	0.145
3	Cl	0.041
4	F	-0.202
5	H	0.205
6	H	0.156

	x	y	z	Total
	0.887	2.793	0.000	2.930
CHELPG
AIM
ESP

	x	y	z
x	7.225	0.543	0.000
y	0.543	4.589	0.000
z	0.000	0.000	2.278

<r²>	76.415
(<r²>)^1/2	8.742