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	hartrees
Energy at 0K	-636.019279
Energy at 298.15K	-636.021340
HF Energy	-635.694795
Nuclear repulsion energy	136.340417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3348	3131	5.52
2	A'	3329	3113	2.01
3	A'	1777	1662	11.84
4	A'	1373	1284	0.12
5	A'	1286	1203	7.05
6	A'	1121	1049	102.37
7	A'	839	785	44.62
8	A'	431	403	2.26
9	A'	271	253	10.63
10	A"	976	912	81.88
11	A"	864	808	13.22
12	A"	270	252	5.71

Atom	x (Å)	y (Å)
C1	0.000	0.481
C2	1.059	-0.318
Cl3	-1.678	-0.193
F4	2.339	0.239
H5	0.049	1.559
H6	1.067	-1.398

	C1	C2	Cl3	F4	H5	H6
C1		1.3271	1.8083	2.3515	1.0787	2.1614
C2	1.3271		2.7399	1.3956	2.1318	1.0800
Cl3	1.8083	2.7399		4.0399	2.4597	2.9980
F4	2.3515	1.3956	4.0399		2.6435	2.0728
H5	1.0787	2.1318	2.4597	2.6435		3.1276
H6	2.1614	1.0800	2.9980	2.0728	3.1276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.436	C1	C2	H6	127.474
C2	C1	Cl3	121.057	C2	C1	H5	124.459
Cl3	C1	H5	114.484	F4	C2	H6	113.089

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: CID/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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