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	hartrees
Energy at 0K	-637.015995
Energy at 298.15K	-637.018157
HF Energy	-637.015995
Nuclear repulsion energy	144.086857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3134	9.11
2	A'	3141	3089	4.30
3	A'	1686	1658	57.51
4	A'	1332	1310	24.36
5	A'	1240	1219	31.06
6	A'	1072	1055	74.48
7	A'	798	785	18.78
8	A'	648	637	20.70
9	A'	189	186	0.95
10	A"	829	815	0.01
11	A"	724	712	42.97
12	A"	442	435	7.63

Atom	x (Å)	y (Å)
C1	0.000	0.874
C2	1.259	0.416
Cl3	-1.390	-0.163
F4	1.573	-0.889
H5	-0.209	1.944
H6	2.129	1.080

	C1	C2	Cl3	F4	H5	H6
C1		1.3394	1.7337	2.3621	1.0910	2.1394
C2	1.3394		2.7112	1.3421	2.1191	1.0948
Cl3	1.7337	2.7112		3.0503	2.4155	3.7323
F4	2.3621	1.3421	3.0503		3.3469	2.0458
H5	1.0910	2.1191	2.4155	3.3469		2.4932
H6	2.1394	1.0948	3.7323	2.0458	2.4932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.505	C1	C2	H6	122.702
C2	C1	Cl3	123.314	C2	C1	H5	121.023
Cl3	C1	H5	115.663	F4	C2	H6	113.793

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

using model chemistry: PBEPBEultrafine/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	-0.344
2	C	0.166
3	Cl	0.019
4	F	-0.209
5	H	0.205
6	H	0.163

	x	y	z	Total
	1.079	1.755	0.000	2.060
CHELPG
AIM
ESP

	x	y	z
x	7.003	0.412	0.000
y	0.412	4.461	0.000
z	0.000	0.000	2.229

<r²>	104.910
(<r²>)^1/2	10.243