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	hartrees
Energy at 0K	-636.719753
Energy at 298.15K	-636.721801
HF Energy	-635.886208
Nuclear repulsion energy	139.889041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3235	3127
2	A'	3228	3120
3	A'	1685	1629
4	A'	1314	1270
5	A'	1231	1191
6	A'	1142	1104
7	A'	880	851
8	A'	448	433
9	A'	266	257
10	A"	906	876
11	A"	778	752
12	A"	268	259

Atom	x (Å)	y (Å)
C1	0.000	0.485
C2	1.020	-0.370
Cl3	-1.633	-0.092
F4	2.286	0.086
H5	0.127	1.557
H6	0.943	-1.448

	C1	C2	Cl3	F4	H5	H6
C1		1.3312	1.7322	2.3205	1.0799	2.1509
C2	1.3312		2.6681	1.3453	2.1246	1.0810
Cl3	1.7322	2.6681		3.9232	2.4122	2.9112
F4	2.3205	1.3453	3.9232		2.6129	2.0392
H5	1.0799	2.1246	2.4122	2.6129		3.1146
H6	2.1509	1.0810	2.9112	2.0392	3.1146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.220	C1	C2	H6	125.849
C2	C1	Cl3	120.575	C2	C1	H5	123.225
Cl3	C1	H5	116.200	F4	C2	H6	113.931

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

using model chemistry: QCISD(T)/aug-cc-pVTZ

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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