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	hartrees
Energy at 0K	-637.383845
Energy at 298.15K	-637.385809
HF Energy	-637.383845
Nuclear repulsion energy	137.988437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3149	7.34
2	A'	3126	3131	5.94
3	A'	1638	1641	18.41
4	A'	1268	1270	0.19
5	A'	1171	1173	1.41
6	A'	1099	1101	161.52
7	A'	827	829	57.19
8	A'	428	429	1.43
9	A'	260	260	5.22
10	A"	885	886	45.63
11	A"	753	754	11.11
12	A"	261	261	1.00

Atom	x (Å)	y (Å)
C1	0.000	0.483
C2	1.042	-0.364
Cl3	-1.659	-0.106
F4	2.317	0.107
H5	0.115	1.575
H6	0.973	-1.461

	C1	C2	Cl3	F4	H5	H6
C1		1.3427	1.7600	2.3477	1.0974	2.1743
C2	1.3427		2.7128	1.3596	2.1487	1.0995
Cl3	1.7600	2.7128		3.9817	2.4428	2.9605
F4	2.3477	1.3596	3.9817		2.6468	2.0654
H5	1.0974	2.1487	2.4428	2.6468		3.1548
H6	2.1743	1.0995	2.9605	2.0654	3.1548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.633	C1	C2	H6	125.531
C2	C1	Cl3	121.352	C2	C1	H5	123.110
Cl3	C1	H5	115.538	F4	C2	H6	113.837

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

using model chemistry: BLYP/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	-0.076
2	C	0.225
3	Cl	-0.056
4	F	-0.139
5	H	0.039
6	H	0.006

	x	y	z	Total
	0.197	-0.121	0.000	0.231
CHELPG
AIM
ESP

	x	y	z
x	7.417	-0.257	0.000
y	-0.257	4.402	0.000
z	0.000	0.000	2.278

<r²>	128.093
(<r²>)^1/2	11.318