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	hartrees
Energy at 0K	-637.130379
Energy at 298.15K	-637.132374
HF Energy	-637.130379
Nuclear repulsion energy	139.515629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3128	7.88
2	A'	3137	3116	6.79
3	A'	1639	1629	22.60
4	A'	1272	1264	0.57
5	A'	1191	1184	1.09
6	A'	1103	1096	189.17
7	A'	856	850	54.20
8	A'	438	435	1.27
9	A'	260	258	4.95
10	A"	877	871	58.91
11	A"	772	767	6.03
12	A"	262	260	0.72

Atom	x (Å)	y (Å)
C1	0.000	0.477
C2	1.022	-0.377
Cl3	-1.639	-0.083
F4	2.295	0.080
H5	0.127	1.558
H6	0.948	-1.464

	C1	C2	Cl3	F4	H5	H6
C1		1.3315	1.7318	2.3286	1.0878	2.1603
C2	1.3315		2.6764	1.3523	2.1313	1.0896
Cl3	1.7318	2.6764		3.9365	2.4100	2.9322
F4	2.3286	1.3523	3.9365		2.6235	2.0483
H5	1.0878	2.1313	2.4100	2.6235		3.1311
H6	2.1603	1.0896	2.9322	2.0483	3.1311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.371	C1	C2	H6	126.029
C2	C1	Cl3	121.227	C2	C1	H5	123.205
Cl3	C1	H5	115.569	F4	C2	H6	113.600

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

using model chemistry: PBEPBE/aug-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	-0.310
2	C	-0.094
3	Cl	-0.142
4	F	-0.330
5	H	0.392
6	H	0.485

	x	y	z	Total
	0.028	-0.117	0.000	0.120
CHELPG
AIM
ESP

	x	y	z
x	8.782	-0.337	0.000
y	-0.337	5.769	0.000
z	0.000	0.000	4.567

<r²>	125.993
(<r²>)^1/2	11.225