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	hartrees
Energy at 0K	-634.244110
Energy at 298.15K	-634.246406
HF Energy	-634.244110
Nuclear repulsion energy	144.554618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3143	8.67
2	A'	3231	3100	2.77
3	A'	1740	1670	39.51
4	A'	1409	1352	11.75
5	A'	1300	1247	13.79
6	A'	1097	1052	64.82
7	A'	809	776	14.05
8	A'	668	640	23.81
9	A'	195	187	1.41
10	A"	970	931	0.22
11	A"	787	755	61.42
12	A"	475	456	10.05

Atom	x (Å)	y (Å)
C1	0.000	0.886
C2	1.242	0.425
Cl3	-1.374	-0.165
F4	1.558	-0.900
H5	-0.210	1.945
H6	2.098	1.089

	C1	C2	Cl3	F4	H5	H6
C1		1.3245	1.7296	2.3694	1.0804	2.1080
C2	1.3245		2.6815	1.3618	2.1024	1.0834
Cl3	1.7296	2.6815		3.0225	2.4099	3.6916
F4	2.3694	1.3618	3.0225		3.3496	2.0603
H5	1.0804	2.1024	2.4099	3.3496		2.4623
H6	2.1080	1.0834	3.6916	2.0603	2.4623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.768	C1	C2	H6	121.879
C2	C1	Cl3	122.250	C2	C1	H5	121.568
Cl3	C1	H5	116.182	F4	C2	H6	114.353

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

using model chemistry: B3PW91/3-21G*

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	-0.438
2	C	0.131
3	Cl	0.047
4	F	-0.258
5	H	0.275
6	H	0.243

	x	y	z	Total
	1.081	2.087	0.000	2.350
CHELPG
AIM
ESP

	x	y	z
x	6.449	0.370	0.000
y	0.370	4.060	0.000
z	0.000	0.000	1.698

<r²>	103.909
(<r²>)^1/2	10.194