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	hartrees
Energy at 0K	-637.145184
Energy at 298.15K	-637.147274
HF Energy	-636.916575
Nuclear repulsion energy	140.344930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3119	9.64
2	A'	3248	3102	5.07
3	A'	1717	1640	28.10
4	A'	1342	1282	0.46
5	A'	1238	1182	1.90
6	A'	1183	1130	162.45
7	A'	886	846	49.05
8	A'	454	434	1.61
9	A'	270	257	5.74
10	A"	950	907	40.03
11	A"	816	779	11.89
12	A"	277	265	1.53

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.025	-0.360
Cl3	-1.630	-0.096
F4	2.279	0.087
H5	0.116	1.556
H6	0.944	-1.439

	C1	C2	Cl3	F4	H5	H6
C1		1.3263	1.7300	2.3128	1.0796	2.1407
C2	1.3263		2.6680	1.3311	2.1202	1.0820
Cl3	1.7300	2.6680		3.9133	2.4037	2.9037
F4	2.3128	1.3311	3.9133		2.6148	2.0266
H5	1.0796	2.1202	2.4037	2.6148		3.1071
H6	2.1407	1.0820	2.9037	2.0266	3.1071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.993	C1	C2	H6	125.160
C2	C1	Cl3	121.043	C2	C1	H5	123.268
Cl3	C1	H5	115.689	F4	C2	H6	113.847

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

using model chemistry: B2PLYP/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	-0.176
2	C	0.080
3	Cl	-0.113
4	F	-0.105
5	H	0.169
6	H	0.145

	x	y	z	Total
	0.346	-0.095	0.000	0.359
CHELPG
AIM
ESP

	x	y	z
x	7.297	-0.322	0.000
y	-0.322	4.552	0.000
z	0.000	0.000	2.930

<r²>	124.405
(<r²>)^1/2	11.154