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	hartrees
Energy at 0K	-637.125954
Energy at 298.15K	-637.127958
HF Energy	-637.125954
Nuclear repulsion energy	139.565634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3127	8.44
2	A'	3132	3110	5.94
3	A'	1646	1634	21.74
4	A'	1276	1267	0.53
5	A'	1192	1184	1.14
6	A'	1117	1109	174.40
7	A'	859	853	52.77
8	A'	439	436	1.36
9	A'	260	259	4.98
10	A"	882	876	56.98
11	A"	772	767	7.62
12	A"	264	262	0.80

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.023	-0.375
Cl3	-1.639	-0.083
F4	2.294	0.077
H5	0.127	1.558
H6	0.943	-1.462

	C1	C2	Cl3	F4	H5	H6
C1		1.3319	1.7319	2.3289	1.0877	2.1567
C2	1.3319		2.6776	1.3488	2.1305	1.0901
Cl3	1.7319	2.6776		3.9358	2.4106	2.9263
F4	2.3289	1.3488	3.9358		2.6250	2.0479
H5	1.0877	2.1305	2.4106	2.6250		3.1282
H6	2.1567	1.0901	2.9263	2.0479	3.1282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.636	C1	C2	H6	125.572
C2	C1	Cl3	121.293	C2	C1	H5	123.097
Cl3	C1	H5	115.610	F4	C2	H6	113.792

All results from a given calculation for CHFCHCl ((E)-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	-0.117
2	C	0.102
3	Cl	-0.073
4	F	-0.139
5	H	0.132
6	H	0.095

	x	y	z	Total
	0.122	-0.115	0.000	0.168
CHELPG
AIM
ESP

	x	y	z
x	7.996	-0.309	0.000
y	-0.309	4.954	0.000
z	0.000	0.000	3.293

<r²>	125.721
(<r²>)^1/2	11.213