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	hartrees
Energy at 0K	-637.222988
Energy at 298.15K
HF Energy	-636.996277
Nuclear repulsion energy	139.783360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3263	6.15
2	A'	3256	3256	7.01
3	A'	1706	1706	22.58
4	A'	1344	1344	0.72
5	A'	1260	1260	2.94
6	A'	1140	1140	187.42
7	A'	881	881	59.12
8	A'	450	450	1.67
9	A'	274	274	6.62
10	A"	930	930	64.76
11	A"	798	798	8.53
12	A"	271	271	1.41

Atom	x (Å)	y (Å)
C1	0.000	0.477
C2	1.028	-0.354
Cl3	-1.637	-0.114
F4	2.287	0.121
H5	0.108	1.549
H6	0.975	-1.432

	C1	C2	Cl3	F4	H5	H6
C1		1.3221	1.7407	2.3145	1.0777	2.1438
C2	1.3221		2.6761	1.3456	2.1141	1.0791
Cl3	1.7407	2.6761		3.9312	2.4110	2.9263
F4	2.3145	1.3456	3.9312		2.6051	2.0328
H5	1.0777	2.1141	2.4110	2.6051		3.1049
H6	2.1438	1.0791	2.9263	2.0328	3.1049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.353	C1	C2	H6	126.167
C2	C1	Cl3	121.190	C2	C1	H5	123.198
Cl3	C1	H5	115.612	F4	C2	H6	113.480

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

using model chemistry: B2PLYP=FULLultrafine/TZVP

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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