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	hartrees
Energy at 0K	-634.322018
Energy at 298.15K	-634.324138
HF Energy	-634.322018
Nuclear repulsion energy	139.497259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3122	8.96
2	A'	3261	3096	2.95
3	A'	1744	1656	17.97
4	A'	1375	1306	1.36
5	A'	1281	1217	2.22
6	A'	1176	1117	105.76
7	A'	875	831	45.69
8	A'	451	429	1.69
9	A'	277	263	6.04
10	A"	983	934	72.38
11	A"	874	830	30.14
12	A"	280	266	1.77

Atom	x (Å)	y (Å)
C1	0.000	0.480
C2	1.011	-0.372
Cl3	-1.639	-0.072
F4	2.307	0.053
H5	0.136	1.551
H6	0.893	-1.447

	C1	C2	Cl3	F4	H5	H6
C1		1.3228	1.7298	2.3466	1.0792	2.1242
C2	1.3228		2.6675	1.3640	2.1129	1.0814
Cl3	1.7298	2.6675		3.9485	2.4054	2.8812
F4	2.3466	1.3640	3.9485		2.6377	2.0620
H5	1.0792	2.1129	2.4054	2.6377		3.0920
H6	2.1242	1.0814	2.8812	2.0620	3.0920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.701	C1	C2	H6	123.833
C2	C1	Cl3	121.242	C2	C1	H5	122.880
Cl3	C1	H5	115.877	F4	C2	H6	114.466

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

using model chemistry: mPW1PW91/3-21G*

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	-0.435
2	C	0.132
3	Cl	0.038
4	F	-0.275
5	H	0.289
6	H	0.252

	x	y	z	Total
	0.161	-0.176	0.000	0.239
CHELPG
AIM
ESP

	x	y	z
x	6.668	-0.345	0.000
y	-0.345	3.772	0.000
z	0.000	0.000	1.682

<r²>	125.981
(<r²>)^1/2	11.224