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	hartrees
Energy at 0K	-636.512469
Energy at 298.15K	-636.514486
HF Energy	-635.822475
Nuclear repulsion energy	138.477478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3247	3154
2	A'	3239	3146
3	A'	1681	1632
4	A'	1304	1266
5	A'	1220	1185
6	A'	1110	1078
7	A'	870	845
8	A'	442	429
9	A'	266	259
10	A"	885	860
11	A"	757	735
12	A"	264	256

Atom	x (Å)	y (Å)
C1	0.000	0.489
C2	1.027	-0.379
Cl3	-1.649	-0.090
F4	2.309	0.085
H5	0.126	1.574
H6	0.954	-1.469

	C1	C2	Cl3	F4	H5	H6
C1		1.3451	1.7474	2.3444	1.0921	2.1780
C2	1.3451		2.6913	1.3632	2.1512	1.0922
Cl3	1.7474	2.6913		3.9615	2.4327	2.9449
F4	2.3444	1.3632	3.9615		2.6430	2.0617
H5	1.0921	2.1512	2.4327	2.6430		3.1536
H6	2.1780	1.0922	2.9449	2.0617	3.1536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.904	C1	C2	H6	126.351
C2	C1	Cl3	120.425	C2	C1	H5	123.593
Cl3	C1	H5	115.982	F4	C2	H6	113.745

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

using model chemistry: CCSD(T)=FULL/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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