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	hartrees
Energy at 0K	-637.464977
Energy at 298.15K	-637.467212
HF Energy	-637.464977
Nuclear repulsion energy	144.073083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3150	5.39
2	A'	3218	3123	7.18
3	A'	1712	1662	61.78
4	A'	1336	1297	22.20
5	A'	1238	1202	33.49
6	A'	1056	1025	98.93
7	A'	800	776	19.16
8	A'	650	631	25.13
9	A'	195	189	1.39
10	A"	881	855	0.32
11	A"	749	727	46.27
12	A"	453	440	6.59

Atom	x (Å)	y (Å)
C1	0.000	0.870
C2	1.256	0.431
Cl3	-1.391	-0.174
F4	1.579	-0.876
H5	-0.216	1.935
H6	2.122	1.092

	C1	C2	Cl3	F4	H5	H6
C1		1.3306	1.7391	2.3536	1.0871	2.1335
C2	1.3306		2.7156	1.3461	2.1049	1.0891
Cl3	1.7391	2.7156		3.0516	2.4142	3.7341
F4	2.3536	1.3461	3.0516		3.3352	2.0415
H5	1.0871	2.1049	2.4142	3.3352		2.4855
H6	2.1335	1.0891	3.7341	2.0415	2.4855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.111	C1	C2	H6	123.383
C2	C1	Cl3	123.871	C2	C1	H5	120.727
Cl3	C1	H5	115.402	F4	C2	H6	113.506

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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	0.035
2	C	1.405
3	Cl	-0.132
4	F	-0.402
5	H	-0.523
6	H	-0.383

	x	y	z	Total
	0.819	2.037	0.000	2.195
CHELPG
AIM
ESP

	x	y	z
x	8.245	0.330	0.000
y	0.330	5.738	0.000
z	0.000	0.000	4.384

<r²>	105.545
(<r²>)^1/2	10.274