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	hartrees
Energy at 0K	-637.432260
Energy at 298.15K	-637.434461
HF Energy	-637.432260
Nuclear repulsion energy	144.648372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3130	7.92
2	A'	3140	3100	4.83
3	A'	1654	1633	64.12
4	A'	1323	1306	20.30
5	A'	1231	1215	32.88
6	A'	1044	1030	99.07
7	A'	789	779	16.79
8	A'	647	638	25.34
9	A'	196	193	1.22
10	A"	852	841	0.26
11	A"	727	718	45.37
12	A"	448	442	6.41

Atom	x (Å)	y (Å)
C1	0.000	0.860
C2	1.254	0.413
Cl3	-1.390	-0.155
F4	1.575	-0.888
H5	-0.197	1.924
H6	2.117	1.072

	C1	C2	Cl3	F4	H5	H6
C1		1.3310	1.7207	2.3528	1.0830	2.1277
C2	1.3310		2.7038	1.3403	2.0952	1.0859
Cl3	1.7207	2.7038		3.0541	2.3972	3.7151
F4	2.3528	1.3403	3.0541		3.3244	2.0334
H5	1.0830	2.0952	2.3972	3.3244		2.4663
H6	2.1277	1.0859	3.7151	2.0334	2.4663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.474	C1	C2	H6	123.050
C2	C1	Cl3	124.261	C2	C1	H5	120.092
Cl3	C1	H5	115.646	F4	C2	H6	113.476

All results from a given calculation for CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.273
2	C	0.497
3	Cl	-0.161
4	F	-0.331
5	H	0.130
6	H	0.138

	x	y	z	Total
	0.782	1.850	0.000	2.008
CHELPG
AIM
ESP

	x	y	z
x	8.371	0.292	0.000
y	0.292	5.793	0.000
z	0.000	0.000	4.497

<r²>	104.947
(<r²>)^1/2	10.244