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	hartrees
Energy at 0K	-630.014589
Energy at 298.15K	-630.016637
HF Energy	-630.014589
Nuclear repulsion energy	141.995559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3527	3100	27.21
2	A'	3411	2998	19.06
3	A'	1851	1627	26.22
4	A'	1470	1292	31.38
5	A'	1320	1161	13.96
6	A'	1164	1023	14.43
7	A'	866	761	16.89
8	A'	674	592	11.83
9	A'	179	157	0.57
10	A"	939	826	0.03
11	A"	763	670	21.02
12	A"	441	388	1.67

Atom	x (Å)	y (Å)
C1	0.000	0.900
C2	1.264	0.441
Cl3	-1.407	-0.196
F4	1.608	-0.870
H5	-0.247	1.966
H6	2.109	1.157

	C1	C2	Cl3	F4	H5	H6
C1		1.3450	1.7837	2.3917	1.0943	2.1251
C2	1.3450		2.7466	1.3559	2.1470	1.1076
Cl3	1.7837	2.7466		3.0899	2.4535	3.7681
F4	2.3917	1.3559	3.0899		3.3892	2.0886
H5	1.0943	2.1470	2.4535	3.3892		2.4916
H6	2.1251	1.1076	3.7681	2.0886	2.4916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	124.630	C1	C2	H6	119.791
C2	C1	Cl3	122.150	C2	C1	H5	122.997
Cl3	C1	H5	114.853	F4	C2	H6	115.579

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

using model chemistry: mPW1PW91/STO-3G

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	-0.088
2	C	0.029
3	Cl	-0.117
4	F	-0.044
5	H	0.118
6	H	0.102

	x	y	z	Total
	1.791	1.531	0.000	2.356
CHELPG
AIM
ESP

	x	y	z
x	4.228	0.219	0.000
y	0.219	2.499	0.000
z	0.000	0.000	0.471

<r²>	106.231
(<r²>)^1/2	10.307