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	hartrees
Energy at 0K	-637.050388
Energy at 298.15K	-637.052553
HF Energy	-637.050388
Nuclear repulsion energy	143.853356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3150	7.72
2	A'	3128	3110	3.74
3	A'	1677	1668	60.98
4	A'	1295	1288	23.18
5	A'	1211	1204	39.45
6	A'	1049	1043	74.97
7	A'	792	788	19.35
8	A'	645	641	21.12
9	A'	185	184	0.96
10	A"	830	825	0.35
11	A"	717	713	38.97
12	A"	443	440	7.17

Atom	x (Å)	y (Å)
C1	0.000	0.875
C2	1.260	0.415
Cl3	-1.392	-0.162
F4	1.575	-0.891
H5	-0.206	1.953
H6	2.133	1.087

	C1	C2	Cl3	F4	H5	H6
C1		1.3417	1.7359	2.3658	1.0975	2.1435
C2	1.3417		2.7145	1.3428	2.1249	1.1012
Cl3	1.7359	2.7145		3.0551	2.4250	3.7397
F4	2.3658	1.3428	3.0551		3.3551	2.0545
H5	1.0975	2.1249	2.4250	3.3551		2.4941
H6	2.1435	1.1012	3.7397	2.0545	2.4941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.595	C1	C2	H6	122.360
C2	C1	Cl3	123.266	C2	C1	H5	120.861
Cl3	C1	H5	115.872	F4	C2	H6	114.046

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	-0.156
2	C	0.212
3	Cl	-0.037
4	F	-0.118
5	H	0.067
6	H	0.032

	x	y	z	Total
	0.915	1.671	0.000	1.906
CHELPG
AIM
ESP

	x	y	z
x	7.101	0.472	0.000
y	0.472	4.557	0.000
z	0.000	0.000	2.303

<r²>	105.276
(<r²>)^1/2	10.260