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	hartrees
Energy at 0K	-637.489517
Energy at 298.15K	-637.491558
HF Energy	-637.489517
Nuclear repulsion energy	139.697393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3116	6.96
2	A'	3224	3106	8.58
3	A'	1699	1637	23.55
4	A'	1329	1280	0.31
5	A'	1250	1204	3.26
6	A'	1138	1097	186.61
7	A'	868	836	67.29
8	A'	445	429	1.82
9	A'	266	256	5.95
10	A"	926	892	68.78
11	A"	784	755	12.89
12	A"	271	261	1.12

Atom	x (Å)	y (Å)
C1	0.000	0.476
C2	1.027	-0.364
Cl3	-1.639	-0.100
F4	2.290	0.101
H5	0.108	1.551
H6	0.971	-1.445

	C1	C2	Cl3	F4	H5	H6
C1		1.3267	1.7366	2.3206	1.0809	2.1519
C2	1.3267		2.6789	1.3457	2.1239	1.0826
Cl3	1.7366	2.6789		3.9339	2.4036	2.9356
F4	2.3206	1.3457	3.9339		2.6195	2.0326
H5	1.0809	2.1239	2.4036	2.6195		3.1176
H6	2.1519	1.0826	2.9356	2.0326	3.1176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.535	C1	C2	H6	126.250
C2	C1	Cl3	121.401	C2	C1	H5	123.491
Cl3	C1	H5	115.108	F4	C2	H6	113.215

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

using model chemistry: TPSSh/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	-0.367
2	C	0.123
3	Cl	-0.043
4	F	-0.210
5	H	0.273
6	H	0.224

	x	y	z	Total
	0.239	-0.205	0.000	0.315
CHELPG
AIM
ESP

	x	y	z
x	7.387	-0.243	0.000
y	-0.243	4.198	0.000
z	0.000	0.000	2.345

<r²>	125.782
(<r²>)^1/2	11.215