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	hartrees
Energy at 0K	-637.425636
Energy at 298.15K	-637.427725
HF Energy	-637.425636
Nuclear repulsion energy	140.016703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3127	4.23
2	A'	3257	3121	11.50
3	A'	1731	1659	25.12
4	A'	1315	1260	0.49
5	A'	1231	1179	1.07
6	A'	1149	1101	198.90
7	A'	892	855	55.68
8	A'	453	434	1.51
9	A'	271	260	5.81
10	A"	918	880	59.78
11	A"	821	787	7.79
12	A"	274	263	1.16

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.021	-0.370
Cl3	-1.632	-0.091
F4	2.284	0.088
H5	0.119	1.558
H6	0.950	-1.455

	C1	C2	Cl3	F4	H5	H6
C1		1.3271	1.7287	2.3169	1.0869	2.1539
C2	1.3271		2.6678	1.3436	2.1286	1.0876
Cl3	1.7287	2.6678		3.9203	2.4060	2.9203
F4	2.3169	1.3436	3.9203		2.6164	2.0401
H5	1.0869	2.1286	2.4060	2.6164		3.1258
H6	2.1539	1.0876	2.9203	2.0401	3.1258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.344	C1	C2	H6	125.970
C2	C1	Cl3	121.064	C2	C1	H5	123.407
Cl3	C1	H5	115.529	F4	C2	H6	113.686

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	-0.049
2	C	1.186
3	Cl	-0.172
4	F	-0.435
5	H	-0.330
6	H	-0.200

	x	y	z	Total
	0.035	-0.129	0.000	0.133
CHELPG
AIM
ESP

	x	y	z
x	8.230	-0.350	0.000
y	-0.350	5.415	0.000
z	0.000	0.000	4.282

<r²>	125.116
(<r²>)^1/2	11.186