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	hartrees
Energy at 0K	-637.293151
Energy at 298.15K	-637.295401
HF Energy	-637.293151
Nuclear repulsion energy	145.021011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3130	9.09
2	A'	3233	3093	3.91
3	A'	1751	1675	60.50
4	A'	1379	1319	26.34
5	A'	1281	1226	34.35
6	A'	1108	1060	82.73
7	A'	824	788	18.76
8	A'	667	639	22.38
9	A'	196	188	1.16
10	A"	890	851	0.06
11	A"	760	727	43.66
12	A"	460	440	8.52

Atom	x (Å)	y (Å)
C1	0.000	0.866
C2	1.250	0.416
Cl3	-1.383	-0.165
F4	1.567	-0.877
H5	-0.209	1.929
H6	2.112	1.077

	C1	C2	Cl3	F4	H5	H6
C1		1.3284	1.7247	2.3439	1.0829	2.1227
C2	1.3284		2.6960	1.3320	2.1012	1.0859
Cl3	1.7247	2.6960		3.0341	2.4000	3.7088
F4	2.3439	1.3320	3.0341		3.3205	2.0286
H5	1.0829	2.1012	2.4000	3.3205		2.4726
H6	2.1227	1.0859	3.7088	2.0286	2.4726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.538	C1	C2	H6	122.782
C2	C1	Cl3	123.506	C2	C1	H5	120.908
Cl3	C1	H5	115.586	F4	C2	H6	113.680

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

using model chemistry: B3PW91/6-31G*

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	-0.366
2	C	0.186
3	Cl	0.018
4	F	-0.244
5	H	0.224
6	H	0.183

	x	y	z	Total
	1.103	1.918	0.000	2.212
CHELPG
AIM
ESP

	x	y	z
x	6.816	0.378	0.000
y	0.378	4.302	0.000
z	0.000	0.000	2.205

<r²>	103.842
(<r²>)^1/2	10.190