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	hartrees
Energy at 0K	-637.201605
Energy at 298.15K	-637.203859
HF Energy	-636.997297
Nuclear repulsion energy	144.771588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3123	6.65
2	A'	3242	3094	5.73
3	A'	1716	1638	61.18
4	A'	1372	1310	22.38
5	A'	1273	1214	34.82
6	A'	1080	1030	105.83
7	A'	812	775	18.01
8	A'	658	628	25.21
9	A'	199	190	1.45
10	A"	875	835	0.09
11	A"	755	721	51.69
12	A"	453	433	9.26

Atom	x (Å)	y (Å)
C1	0.000	0.869
C2	1.249	0.432
Cl3	-1.384	-0.177
F4	1.572	-0.867
H5	-0.214	1.924
H6	2.107	1.088

	C1	C2	Cl3	F4	H5	H6
C1		1.3234	1.7350	2.3413	1.0772	2.1185
C2	1.3234		2.7033	1.3384	2.0898	1.0799
Cl3	1.7350	2.7033		3.0353	2.4056	3.7137
F4	2.3413	1.3384	3.0353		3.3133	2.0270
H5	1.0772	2.0898	2.4056	3.3133		2.4670
H6	2.1185	1.0799	3.7137	2.0270	2.4670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.190	C1	C2	H6	123.336
C2	C1	Cl3	123.675	C2	C1	H5	120.704
Cl3	C1	H5	115.621	F4	C2	H6	113.474

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

using model chemistry: B2PLYP/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	-0.147
2	C	0.103
3	Cl	-0.057
4	F	-0.187
5	H	0.173
6	H	0.115

	x	y	z	Total
	0.852	2.135	0.000	2.299
CHELPG
AIM
ESP

	x	y	z
x	7.099	0.353	0.000
y	0.353	4.670	0.000
z	0.000	0.000	3.084

<r²>	104.604
(<r²>)^1/2	10.228