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	hartrees
Energy at 0K	-637.160448
Energy at 298.15K
HF Energy	-636.950394
Nuclear repulsion energy	139.178125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3143	0.58
2	A'	3260	3137	14.40
3	A'	1699	1635	22.31
4	A'	1314	1265	0.71
5	A'	1230	1184	3.22
6	A'	1116	1074	187.87
7	A'	875	842	56.86
8	A'	446	429	1.52
9	A'	270	260	6.09
10	A"	910	876	60.25
11	A"	803	772	6.12
12	A"	270	260	1.31

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.025	-0.370
Cl3	-1.642	-0.098
F4	2.298	0.099
H5	0.117	1.563
H6	0.961	-1.455

	C1	C2	Cl3	F4	H5	H6
C1		1.3331	1.7413	2.3294	1.0871	2.1628
C2	1.3331		2.6807	1.3559	2.1355	1.0873
Cl3	1.7413	2.6807		3.9441	2.4195	2.9352
F4	2.3294	1.3559	3.9441		2.6264	2.0497
H5	1.0871	2.1355	2.4195	2.6264		3.1340
H6	2.1628	1.0873	2.9352	2.0497	3.1340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.053	C1	C2	H6	126.345
C2	C1	Cl3	120.791	C2	C1	H5	123.535
Cl3	C1	H5	115.673	F4	C2	H6	113.602

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

using model chemistry: B2PLYP=FULLultrafine/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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