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	hartrees
Energy at 0K	-637.386932
Energy at 298.15K	-637.389077
HF Energy	-637.386932
Nuclear repulsion energy	140.943706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3162	9.16
2	A'	3247	3121	7.07
3	A'	1704	1638	41.98
4	A'	1339	1288	15.98
5	A'	1241	1193	13.64
6	A'	1013	974	97.61
7	A'	753	724	14.48
8	A'	609	586	26.82
9	A'	187	179	1.66
10	A"	902	867	0.13
11	A"	758	729	78.53
12	A"	435	418	9.09

Atom	x (Å)	y (Å)
C1	0.000	0.898
C2	1.269	0.476
Cl3	-1.419	-0.208
F4	1.626	-0.867
H5	-0.256	1.949
H6	2.128	1.142

	C1	C2	Cl3	F4	H5	H6
C1		1.3376	1.7991	2.4002	1.0820	2.1418
C2	1.3376		2.7740	1.3902	2.1205	1.0861
Cl3	1.7991	2.7740		3.1157	2.4507	3.7950
F4	2.4002	1.3902	3.1157		3.3876	2.0705
H5	1.0820	2.1205	2.4507	3.3876		2.5172
H6	2.1418	1.0861	3.7950	2.0705	2.5172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.249	C1	C2	H6	123.857
C2	C1	Cl3	123.688	C2	C1	H5	122.070
Cl3	C1	H5	114.243	F4	C2	H6	112.894

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

using model chemistry: B3LYP/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	-0.366
2	C	0.101
3	Cl	-0.009
4	F	-0.212
5	H	0.264
6	H	0.221

	x	y	z	Total
	0.840	2.797	0.000	2.921
CHELPG
AIM
ESP

	x	y	z
x	6.627	0.433	0.000
y	0.433	4.022	0.000
z	0.000	0.000	1.759

<r²>	109.150
(<r²>)^1/2	10.447