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	hartrees
Energy at 0K	-637.089200
Energy at 298.15K	-637.091280
HF Energy	-636.903076
Nuclear repulsion energy	139.789163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3290	8.40
2	A'	3274	3274	5.67
3	A'	1732	1732	23.00
4	A'	1347	1347	0.08
5	A'	1261	1261	4.92
6	A'	1177	1177	159.88
7	A'	891	891	54.06
8	A'	453	453	1.71
9	A'	273	273	6.12
10	A"	941	941	50.38
11	A"	798	798	13.28
12	A"	276	276	1.78

Atom	x (Å)	y (Å)
C1	0.000	0.476
C2	1.026	-0.368
Cl3	-1.637	-0.094
F4	2.289	0.094
H5	0.123	1.549
H6	0.955	-1.447

	C1	C2	Cl3	F4	H5	H6
C1		1.3289	1.7339	2.3204	1.0794	2.1474
C2	1.3289		2.6775	1.3446	2.1187	1.0814
Cl3	1.7339	2.6775		3.9306	2.4082	2.9241
F4	2.3204	1.3446	3.9306		2.6085	2.0383
H5	1.0794	2.1187	2.4082	2.6085		3.1091
H6	2.1474	1.0814	2.9241	2.0383	3.1091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.439	C1	C2	H6	125.682
C2	C1	Cl3	121.334	C2	C1	H5	122.888
Cl3	C1	H5	115.778	F4	C2	H6	113.879

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

using model chemistry: B2PLYP/6-31G**

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	-0.266
2	C	0.254
3	Cl	-0.007
4	F	-0.278
5	H	0.167
6	H	0.131

	x	y	z	Total
	0.275	-0.151	0.000	0.314
CHELPG
AIM
ESP

	x	y	z
x	6.904	-0.310	0.000
y	-0.310	4.114	0.000
z	0.000	0.000	2.192

<r²>	125.358
(<r²>)^1/2	11.196