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	hartrees
Energy at 0K	-637.413917
Energy at 298.15K	-637.415980
HF Energy	-637.413917
Nuclear repulsion energy	139.553117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3122	8.77
2	A'	3230	3104	5.91
3	A'	1725	1658	23.34
4	A'	1334	1282	0.10
5	A'	1244	1195	2.72
6	A'	1172	1126	166.20
7	A'	873	839	57.87
8	A'	449	431	1.70
9	A'	272	261	5.82
10	A"	933	897	48.03
11	A"	798	767	14.96
12	A"	273	263	1.62

Atom	x (Å)	y (Å)
C1	0.000	0.477
C2	1.032	-0.358
Cl3	-1.641	-0.107
F4	2.291	0.111
H5	0.110	1.554
H6	0.969	-1.441

	C1	C2	Cl3	F4	H5	H6
C1		1.3280	1.7416	2.3201	1.0823	2.1488
C2	1.3280		2.6848	1.3432	2.1228	1.0844
Cl3	1.7416	2.6848		3.9377	2.4133	2.9307
F4	2.3201	1.3432	3.9377		2.6150	2.0385
H5	1.0823	2.1228	2.4133	2.6150		3.1153
H6	2.1488	1.0844	2.9307	2.0385	3.1153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.584	C1	C2	H6	125.625
C2	C1	Cl3	121.422	C2	C1	H5	123.134
Cl3	C1	H5	115.444	F4	C2	H6	113.791

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

using model chemistry: B3LYPultrafine/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	-0.255
2	C	0.247
3	Cl	-0.010
4	F	-0.263
5	H	0.159
6	H	0.123

	x	y	z	Total
	0.336	-0.129	0.000	0.360
CHELPG
AIM
ESP

	x	y	z
x	7.045	-0.303	0.000
y	-0.303	4.165	0.000
z	0.000	0.000	2.214

<r²>	125.662
(<r²>)^1/2	11.210