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	hartrees
Energy at 0K	-637.096063
Energy at 298.15K	-637.098056
HF Energy	-637.096063
Nuclear repulsion energy	139.196445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3132	8.85
2	A'	3138	3109	6.22
3	A'	1650	1635	20.32
4	A'	1274	1263	0.36
5	A'	1193	1182	1.22
6	A'	1117	1107	174.32
7	A'	852	844	62.47
8	A'	437	433	1.65
9	A'	262	260	5.16
10	A"	884	876	67.41
11	A"	760	753	12.23
12	A"	263	261	0.79

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.031	-0.372
Cl3	-1.644	-0.090
F4	2.299	0.091
H5	0.119	1.558
H6	0.959	-1.461

	C1	C2	Cl3	F4	H5	H6
C1		1.3343	1.7388	2.3310	1.0887	2.1611
C2	1.3343		2.6897	1.3500	2.1342	1.0916
Cl3	1.7388	2.6897		3.9474	2.4131	2.9424
F4	2.3310	1.3500	3.9474		2.6280	2.0500
H5	1.0887	2.1342	2.4131	2.6280		3.1336
H6	2.1611	1.0916	2.9424	2.0500	3.1336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.544	C1	C2	H6	125.670
C2	C1	Cl3	121.593	C2	C1	H5	123.169
Cl3	C1	H5	115.238	F4	C2	H6	113.786

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

using model chemistry: PBEPBE/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	-0.284
2	C	0.172
3	Cl	-0.029
4	F	-0.173
5	H	0.184
6	H	0.131

	x	y	z	Total
	0.260	-0.181	0.000	0.317
CHELPG
AIM
ESP

	x	y	z
x	7.623	-0.248	0.000
y	-0.248	4.362	0.000
z	0.000	0.000	2.428

<r²>	126.556
(<r²>)^1/2	11.250