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	hartrees
Energy at 0K	-636.792204
Energy at 298.15K	-636.794329
HF Energy	-635.874901
Nuclear repulsion energy	141.051141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3085	0.75
2	A'	3266	3078	15.03
3	A'	1706	1609	27.64
4	A'	1336	1259	0.52
5	A'	1250	1179	3.03
6	A'	1167	1100	181.99
7	A'	919	867	45.57
8	A'	462	436	1.88
9	A'	275	260	5.71
10	A"	937	883	56.49
11	A"	833	786	7.17
12	A"	280	264	1.09

Atom	x (Å)	y (Å)
C1	0.000	0.477
C2	1.008	-0.383
Cl3	-1.620	-0.065
F4	2.270	0.050
H5	0.153	1.544
H6	0.914	-1.458

	C1	C2	Cl3	F4	H5	H6
C1		1.3250	1.7084	2.3098	1.0779	2.1401
C2	1.3250		2.6471	1.3347	2.1085	1.0785
Cl3	1.7084	2.6471		3.8919	2.3942	2.8922
F4	2.3098	1.3347	3.8919		2.5911	2.0278
H5	1.0779	2.1085	2.3942	2.5911		3.0970
H6	2.1401	1.0785	2.8922	2.0278	3.0970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.551	C1	C2	H6	125.531
C2	C1	Cl3	121.015	C2	C1	H5	122.337
Cl3	C1	H5	116.647	F4	C2	H6	113.919

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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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