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	hartrees
Energy at 0K	-636.436818
Energy at 298.15K	-636.438912
HF Energy	-635.809744
Nuclear repulsion energy	139.322848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3272	3.88
2	A'	3264	3264	7.50
3	A'	1746	1746	25.04
4	A'	1329	1329	0.08
5	A'	1240	1240	3.84
6	A'	1176	1176	167.72
7	A'	897	897	44.58
8	A'	454	454	1.93
9	A'	272	272	6.49
10	A"	937	937	47.81
11	A"	807	807	12.78
12	A"	277	277	1.98

Atom	x (Å)	y (Å)
C1	0.000	0.484
C2	1.029	-0.372
Cl3	-1.642	-0.086
F4	2.295	0.076
H5	0.137	1.568
H6	0.939	-1.461

	C1	C2	Cl3	F4	H5	H6
C1		1.3384	1.7379	2.3316	1.0919	2.1599
C2	1.3384		2.6860	1.3431	2.1347	1.0930
Cl3	1.7379	2.6860		3.9405	2.4283	2.9241
F4	2.3316	1.3431	3.9405		2.6242	2.0497
H5	1.0919	2.1347	2.4283	2.6242		3.1329
H6	2.1599	1.0930	2.9241	2.0497	3.1329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.795	C1	C2	H6	125.025
C2	C1	Cl3	121.097	C2	C1	H5	122.562
Cl3	C1	H5	116.341	F4	C2	H6	114.180

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

using model chemistry: CCSD=FULL/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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