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	hartrees
Energy at 0K	-637.074404
Energy at 298.15K	-637.076507
HF Energy	-637.074404
Nuclear repulsion energy	140.914908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3115	10.25
2	A'	3232	3093	5.38
3	A'	1742	1667	31.16
4	A'	1331	1274	0.15
5	A'	1231	1178	3.35
6	A'	1205	1153	168.81
7	A'	902	863	48.62
8	A'	460	440	1.57
9	A'	269	257	5.37
10	A"	947	906	40.90
11	A"	823	788	13.60
12	A"	280	268	1.25

Atom	x (Å)	y (Å)
C1	0.000	0.481
C2	1.019	-0.365
Cl3	-1.623	-0.083
F4	2.270	0.068
H5	0.124	1.556
H6	0.927	-1.446

	C1	C2	Cl3	F4	H5	H6
C1		1.3242	1.7185	2.3072	1.0823	2.1380
C2	1.3242		2.6575	1.3236	2.1189	1.0853
Cl3	1.7185	2.6575		3.8963	2.3959	2.8914
F4	2.3072	1.3236	3.8963		2.6110	2.0243
H5	1.0823	2.1189	2.3959	2.6110		3.1073
H6	2.1380	1.0853	2.8914	2.0243	3.1073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.228	C1	C2	H6	124.787
C2	C1	Cl3	121.168	C2	C1	H5	123.088
Cl3	C1	H5	115.743	F4	C2	H6	113.985

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

using model chemistry: PBE1PBE/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	-0.214
2	C	0.064
3	Cl	-0.098
4	F	-0.090
5	H	0.183
6	H	0.156

	x	y	z	Total
	0.380	-0.094	0.000	0.391
CHELPG
AIM
ESP

	x	y	z
x	7.326	-0.364	0.000
y	-0.364	4.594	0.000
z	0.000	0.000	2.967

<r²>	123.367
(<r²>)^1/2	11.107