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	hartrees
Energy at 0K	-636.065453
Energy at 298.15K	-636.067408
HF Energy	-635.692416
Nuclear repulsion energy	135.088645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3143	4.82
2	A'	3242	3124	1.75
3	A'	1695	1633	9.54
4	A'	1332	1283	0.15
5	A'	1244	1199	7.97
6	A'	1072	1033	85.31
7	A'	800	771	39.87
8	A'	411	396	2.12
9	A'	261	251	9.94
10	A"	924	891	75.69
11	A"	801	772	9.60
12	A"	256	247	5.20

Atom	x (Å)	y (Å)
C1	0.000	0.489
C2	1.068	-0.321
Cl3	-1.692	-0.199
F4	2.360	0.245
H5	0.044	1.573
H6	1.077	-1.408

	C1	C2	Cl3	F4	H5	H6
C1		1.3401	1.8265	2.3721	1.0855	2.1811
C2	1.3401		2.7626	1.4102	2.1532	1.0870
Cl3	1.8265	2.7626		4.0759	2.4810	3.0215
F4	2.3721	1.4102	4.0759		2.6694	2.0920
H5	1.0855	2.1532	2.4810	2.6694		3.1550
H6	2.1811	1.0870	3.0215	2.0920	3.1550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.176	C1	C2	H6	127.651
C2	C1	Cl3	120.713	C2	C1	H5	124.839
Cl3	C1	H5	114.447	F4	C2	H6	113.173

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

using model chemistry: QCISD/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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