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	hartrees
Energy at 0K	-636.357995
Energy at 298.15K	-636.360079
HF Energy	-635.775612
Nuclear repulsion energy	139.637420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3097	6.13
2	A'	3266	3084	5.52
3	A'	1756	1658	20.67
4	A'	1354	1279	0.06
5	A'	1279	1208	5.71
6	A'	1182	1116	149.00
7	A'	909	858	45.85
8	A'	456	430	1.93
9	A'	277	261	6.95
10	A"	934	882	54.99
11	A"	798	753	10.87
12	A"	277	261	2.39

Atom	x (Å)	y (Å)
C1	0.000	0.476
C2	1.022	-0.375
Cl3	-1.638	-0.088
F4	2.291	0.088
H5	0.130	1.552
H6	0.954	-1.458

	C1	C2	Cl3	F4	H5	H6
C1		1.3304	1.7319	2.3239	1.0838	2.1568
C2	1.3304		2.6756	1.3510	2.1237	1.0853
Cl3	1.7319	2.6756		3.9330	2.4111	2.9319
F4	2.3239	1.3510	3.9330		2.6101	2.0447
H5	1.0838	2.1237	2.4111	2.6101		3.1210
H6	2.1568	1.0853	2.9319	2.0447	3.1210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.154	C1	C2	H6	126.166
C2	C1	Cl3	121.234	C2	C1	H5	122.876
Cl3	C1	H5	115.890	F4	C2	H6	113.680

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

using model chemistry: CCSD/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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