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	hartrees
Energy at 0K	-635.869737
Energy at 298.15K	-635.872006
HF Energy	-635.869737
Nuclear repulsion energy	141.128795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3402	3091	2.88
2	A'	3395	3085	12.63
3	A'	1873	1702	39.00
4	A'	1449	1316	0.43
5	A'	1354	1231	3.06
6	A'	1247	1133	237.72
7	A'	939	854	70.61
8	A'	485	440	2.29
9	A'	297	270	8.14
10	A"	1049	953	54.99
11	A"	933	848	22.56
12	A"	301	273	2.65

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.031	-0.324
Cl3	-1.623	-0.147
F4	2.259	0.160
H5	0.082	1.541
H6	0.994	-1.394

	C1	C2	Cl3	F4	H5	H6
C1		1.3040	1.7379	2.2806	1.0698	2.1168
C2	1.3040		2.6595	1.3202	2.0928	1.0709
Cl3	1.7379	2.6595		3.8939	2.3993	2.8989
F4	2.2806	1.3202	3.8939		2.5779	2.0044
H5	1.0698	2.0928	2.3993	2.5779		3.0740
H6	2.1168	1.0709	2.8989	2.0044	3.0740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.696	C1	C2	H6	125.801
C2	C1	Cl3	121.269	C2	C1	H5	123.378
Cl3	C1	H5	115.353	F4	C2	H6	113.503

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

using model chemistry: HF/TZVP

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	-0.082
2	C	0.137
3	Cl	-0.119
4	F	-0.236
5	H	0.179
6	H	0.121

	x	y	z	Total
	0.123	-0.214	0.000	0.247
CHELPG
AIM
ESP

	x	y	z
x	6.919	-0.407	0.000
y	-0.407	4.306	0.000
z	0.000	0.000	2.994

<r²>	123.967
(<r²>)^1/2	11.134