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	hartrees
Energy at 0K	-637.307796
Energy at 298.15K	-637.309882
HF Energy	-637.307796
Nuclear repulsion energy	140.592864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3117	9.79
2	A'	3220	3096	5.50
3	A'	1724	1657	29.24
4	A'	1329	1278	0.32
5	A'	1228	1181	0.34
6	A'	1190	1144	169.37
7	A'	889	855	50.30
8	A'	455	437	1.53
9	A'	268	258	5.35
10	A"	940	904	41.40
11	A"	815	784	12.84
12	A"	277	266	1.26

Atom	x (Å)	y (Å)
C1	0.000	0.481
C2	1.022	-0.363
Cl3	-1.627	-0.088
F4	2.275	0.075
H5	0.119	1.556
H6	0.935	-1.445

	C1	C2	Cl3	F4	H5	H6
C1		1.3256	1.7239	2.3114	1.0822	2.1408
C2	1.3256		2.6640	1.3275	2.1215	1.0850
Cl3	1.7239	2.6640		3.9063	2.3985	2.9001
F4	2.3114	1.3275	3.9063		2.6165	2.0259
H5	1.0822	2.1215	2.3985	2.6165		3.1103
H6	2.1408	1.0850	2.9001	2.0259	3.1103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.197	C1	C2	H6	124.955
C2	C1	Cl3	121.206	C2	C1	H5	123.232
Cl3	C1	H5	115.562	F4	C2	H6	113.848

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.209
2	C	0.062
3	Cl	-0.102
4	F	-0.088
5	H	0.182
6	H	0.156

	x	y	z	Total
	0.368	-0.093	0.000	0.380
CHELPG
AIM
ESP

	x	y	z
x	7.392	-0.352	0.000
y	-0.352	4.605	0.000
z	0.000	0.000	2.969

<r²>	123.860
(<r²>)^1/2	11.129