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	hartrees
Energy at 0K	-637.094212
Energy at 298.15K	-637.096482
HF Energy	-637.094212
Nuclear repulsion energy	145.227524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3143	7.27
2	A'	3234	3109	4.39
3	A'	1762	1694	65.92
4	A'	1348	1296	26.68
5	A'	1259	1211	47.42
6	A'	1095	1053	79.56
7	A'	827	795	20.07
8	A'	671	645	22.20
9	A'	193	186	1.19
10	A"	896	862	0.10
11	A"	758	729	40.76
12	A"	463	445	8.28

Atom	x (Å)	y (Å)
C1	0.000	0.868
C2	1.249	0.414
Cl3	-1.378	-0.166
F4	1.559	-0.877
H5	-0.207	1.938
H6	2.114	1.080

	C1	C2	Cl3	F4	H5	H6
C1		1.3288	1.7227	2.3402	1.0892	2.1251
C2	1.3288		2.6900	1.3281	2.1073	1.0924
Cl3	1.7227	2.6900		3.0217	2.4071	3.7081
F4	2.3402	1.3281	3.0217		3.3229	2.0351
H5	1.0892	2.1073	2.4071	3.3229		2.4749
H6	2.1251	1.0924	3.7081	2.0351	2.4749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.476	C1	C2	H6	122.435
C2	C1	Cl3	123.140	C2	C1	H5	120.949
Cl3	C1	H5	115.911	F4	C2	H6	114.089

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

using model chemistry: PBE1PBE/cc-pVDZ

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	-0.180
2	C	0.242
3	Cl	-0.044
4	F	-0.152
5	H	0.085
6	H	0.049

	x	y	z	Total
	0.981	1.857	0.000	2.101
CHELPG
AIM
ESP

	x	y	z
x	6.846	0.430	0.000
y	0.430	4.357	0.000
z	0.000	0.000	2.276

<r²>	103.554
(<r²>)^1/2	10.176