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	hartrees
Energy at 0K	-637.390001
Energy at 298.15K	-637.392266
HF Energy	-637.390001
Nuclear repulsion energy	144.984665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3131	6.82
2	A'	3211	3096	5.45
3	A'	1727	1665	66.06
4	A'	1358	1310	22.86
5	A'	1267	1221	43.05
6	A'	1085	1046	103.68
7	A'	814	785	19.38
8	A'	662	639	25.27
9	A'	198	191	1.30
10	A"	894	862	0.02
11	A"	755	729	53.75
12	A"	461	444	9.08

Atom	x (Å)	y (Å)
C1	0.000	0.861
C2	1.248	0.424
Cl3	-1.386	-0.172
F4	1.575	-0.867
H5	-0.211	1.921
H6	2.104	1.088

	C1	C2	Cl3	F4	H5	H6
C1		1.3221	1.7285	2.3387	1.0802	2.1162
C2	1.3221		2.7000	1.3322	2.0902	1.0834
Cl3	1.7285	2.7000		3.0416	2.3994	3.7101
F4	2.3387	1.3322	3.0416		3.3113	2.0251
H5	1.0802	2.0902	2.3994	3.3113		2.4608
H6	2.1162	1.0834	3.7101	2.0251	2.4608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.554	C1	C2	H6	122.912
C2	C1	Cl3	123.979	C2	C1	H5	120.603
Cl3	C1	H5	115.418	F4	C2	H6	113.534

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

using model chemistry: B3PW91/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	-0.172
2	C	0.089
3	Cl	-0.059
4	F	-0.171
5	H	0.189
6	H	0.123

	x	y	z	Total
	0.884	2.072	0.000	2.253
CHELPG
AIM
ESP

	x	y	z
x	7.199	0.355	0.000
y	0.355	4.675	0.000
z	0.000	0.000	3.095

<r²>	104.372
(<r²>)^1/2	10.216