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	hartrees
Energy at 0K	-637.379866
Energy at 298.15K	-637.381855
HF Energy	-637.379866
Nuclear repulsion energy	138.755981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3181	5.43
2	A'	3174	3174	9.84
3	A'	1649	1649	19.86
4	A'	1283	1283	0.85
5	A'	1202	1202	2.76
6	A'	1084	1084	190.30
7	A'	841	841	64.12
8	A'	434	434	1.22
9	A'	266	266	5.41
10	A"	874	874	60.40
11	A"	765	765	4.57
12	A"	260	260	0.92

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.028	-0.375
Cl3	-1.647	-0.091
F4	2.306	0.090
H5	0.116	1.568
H6	0.960	-1.465

	C1	C2	Cl3	F4	H5	H6
C1		1.3383	1.7438	2.3391	1.0916	2.1714
C2	1.3383		2.6893	1.3603	2.1461	1.0924
Cl3	1.7438	2.6893		3.9569	2.4205	2.9467
F4	2.3391	1.3603	3.9569		2.6422	2.0568
H5	1.0916	2.1461	2.4205	2.6422		3.1484
H6	2.1714	1.0924	2.9467	2.0568	3.1484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.174	C1	C2	H6	126.291
C2	C1	Cl3	120.953	C2	C1	H5	123.755
Cl3	C1	H5	115.292	F4	C2	H6	113.535

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

using model chemistry: B97D3/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	0.108
2	C	1.187
3	Cl	-0.158
4	F	-0.416
5	H	-0.426
6	H	-0.296

	x	y	z	Total
	0.008	-0.117	0.000	0.117
CHELPG
AIM
ESP

	x	y	z
x	8.680	-0.322	0.000
y	-0.322	5.634	0.000
z	0.000	0.000	4.436

<r²>	127.088
(<r²>)^1/2	11.273