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	hartrees
Energy at 0K	-637.127335
Energy at 298.15K	-637.129516
HF Energy	-637.127335
Nuclear repulsion energy	144.490477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3137	7.92
2	A'	3119	3098	4.51
3	A'	1659	1647	59.50
4	A'	1307	1297	19.83
5	A'	1216	1207	36.69
6	A'	1048	1040	82.60
7	A'	791	785	17.39
8	A'	645	640	21.31
9	A'	188	187	1.07
10	A"	839	833	0.24
11	A"	720	715	44.25
12	A"	446	443	6.74

Atom	x (Å)	y (Å)
C1	0.000	0.867
C2	1.254	0.418
Cl3	-1.387	-0.162
F4	1.571	-0.886
H5	-0.205	1.935
H6	2.121	1.080

	C1	C2	Cl3	F4	H5	H6
C1		1.3326	1.7271	2.3543	1.0869	2.1316
C2	1.3326		2.7041	1.3418	2.1049	1.0908
Cl3	1.7271	2.7041		3.0451	2.4071	3.7212
F4	2.3543	1.3418	3.0451		3.3333	2.0420
H5	1.0869	2.1049	2.4071	3.3333		2.4775
H6	2.1316	1.0908	3.7212	2.0420	2.4775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.362	C1	C2	H6	122.871
C2	C1	Cl3	123.697	C2	C1	H5	120.573
Cl3	C1	H5	115.731	F4	C2	H6	113.766

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

using model chemistry: PBEPBEultrafine/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	-0.134
2	C	0.083
3	Cl	-0.059
4	F	-0.126
5	H	0.137
6	H	0.099

	x	y	z	Total
	0.851	1.773	0.000	1.967
CHELPG
AIM
ESP

	x	y	z
x	7.726	0.420	0.000
y	0.420	5.142	0.000
z	0.000	0.000	3.300

<r²>	104.765
(<r²>)^1/2	10.235