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	hartrees
Energy at 0K	-636.426562
Energy at 298.15K	-636.428646
HF Energy	-635.809494
Nuclear repulsion energy	139.151843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3132	4.22
2	A'	3256	3124	7.48
3	A'	1739	1668	24.25
4	A'	1325	1272	0.04
5	A'	1237	1187	4.25
6	A'	1170	1122	165.00
7	A'	894	858	44.93
8	A'	452	434	1.90
9	A'	271	260	6.44
10	A"	933	895	48.13
11	A"	801	768	12.43
12	A"	275	264	1.92

Atom	x (Å)	y (Å)
C1	0.000	0.485
C2	1.030	-0.372
Cl3	-1.644	-0.087
F4	2.298	0.077
H5	0.136	1.570
H6	0.941	-1.462

	C1	C2	Cl3	F4	H5	H6
C1		1.3401	1.7402	2.3342	1.0930	2.1627
C2	1.3401		2.6889	1.3450	2.1378	1.0941
Cl3	1.7402	2.6889		3.9451	2.4310	2.9275
F4	2.3342	1.3450	3.9451		2.6279	2.0522
H5	1.0930	2.1378	2.4310	2.6279		3.1371
H6	2.1627	1.0941	2.9275	2.0522	3.1371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.757	C1	C2	H6	125.065
C2	C1	Cl3	121.052	C2	C1	H5	122.631
Cl3	C1	H5	116.317	F4	C2	H6	114.178

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

using model chemistry: QCISD/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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