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	hartrees
Energy at 0K	-637.130676
Energy at 298.15K	-637.132767
HF Energy	-637.130676
Nuclear repulsion energy	140.479492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3117	8.18
2	A'	3239	3104	7.67
3	A'	1741	1669	28.23
4	A'	1332	1276	0.05
5	A'	1253	1201	1.28
6	A'	1178	1129	193.13
7	A'	896	859	61.96
8	A'	457	438	1.92
9	A'	273	262	5.82
10	A"	932	893	68.06
11	A"	810	776	16.24
12	A"	277	265	1.11

Atom	x (Å)	y (Å)
C1	0.000	0.472
C2	1.024	-0.364
Cl3	-1.630	-0.091
F4	2.277	0.088
H5	0.119	1.548
H6	0.954	-1.446

	C1	C2	Cl3	F4	H5	H6
C1		1.3222	1.7247	2.3095	1.0819	2.1427
C2	1.3222		2.6679	1.3328	2.1155	1.0841
Cl3	1.7247	2.6679		3.9115	2.3966	2.9180
F4	2.3095	1.3328	3.9115		2.6057	2.0262
H5	1.0819	2.1155	2.3966	2.6057		3.1083
H6	2.1427	1.0841	2.9180	2.0262	3.1083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.887	C1	C2	H6	125.576
C2	C1	Cl3	121.676	C2	C1	H5	122.964
Cl3	C1	H5	115.360	F4	C2	H6	113.538

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

using model chemistry: PBE1PBE/6-311G*

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	-0.397
2	C	0.104
3	Cl	-0.031
4	F	-0.200
5	H	0.287
6	H	0.237

	x	y	z	Total
	0.244	-0.207	0.000	0.320
CHELPG
AIM
ESP

	x	y	z
x	7.209	-0.284	0.000
y	-0.284	4.172	0.000
z	0.000	0.000	2.345

<r²>	124.636
(<r²>)^1/2	11.164