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	hartrees
Energy at 0K	-637.307852
Energy at 298.15K	-637.310099
HF Energy	-637.307852
Nuclear repulsion energy	144.739273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3133	5.76
2	A'	3238	3109	7.26
3	A'	1730	1661	67.47
4	A'	1356	1302	26.08
5	A'	1264	1214	37.89
6	A'	1086	1043	105.06
7	A'	818	785	20.93
8	A'	663	637	22.63
9	A'	195	188	1.36
10	A"	887	852	0.00
11	A"	754	724	56.00
12	A"	457	439	8.23

Atom	x (Å)	y (Å)
C1	0.000	0.861
C2	1.254	0.418
Cl3	-1.388	-0.161
F4	1.573	-0.882
H5	-0.204	1.924
H6	2.117	1.075

	C1	C2	Cl3	F4	H5	H6
C1		1.3293	1.7230	2.3475	1.0829	2.1277
C2	1.3293		2.7038	1.3390	2.0956	1.0846
Cl3	1.7230	2.7038		3.0470	2.3976	3.7159
F4	2.3475	1.3390	3.0470		3.3214	2.0311
H5	1.0829	2.0956	2.3976	3.3214		2.4712
H6	2.1277	1.0846	3.7159	2.0311	2.4712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.235	C1	C2	H6	123.309
C2	C1	Cl3	124.203	C2	C1	H5	120.285
Cl3	C1	H5	115.513	F4	C2	H6	113.455

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

using model chemistry: B3PW91/6-31+G**

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	-0.260
2	C	0.092
3	Cl	0.061
4	F	-0.272
5	H	0.206
6	H	0.173

	x	y	z	Total
	0.878	2.120	0.000	2.294
CHELPG
AIM
ESP

	x	y	z
x	7.526	0.268	0.000
y	0.268	4.904	0.000
z	0.000	0.000	3.459

<r²>	104.737
(<r²>)^1/2	10.234