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	hartrees
Energy at 0K	-636.513221
Energy at 298.15K	-636.515235
HF Energy	-635.822408
Nuclear repulsion energy	138.444193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3246	3149
2	A'	3238	3141
3	A'	1679	1629
4	A'	1303	1264
5	A'	1219	1182
6	A'	1107	1074
7	A'	869	843
8	A'	441	428
9	A'	266	258
10	A"	884	858
11	A"	755	733
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	2.310	0.085
H5	0.126	1.574
H6	0.954	-1.469

	C1	C2	Cl3	F4	H5	H6
C1		1.3453	1.7477	2.3450	1.0922	2.1786
C2	1.3453		2.6916	1.3640	2.1516	1.0923
Cl3	1.7477	2.6916		3.9625	2.4330	2.9457
F4	2.3450	1.3640	3.9625		2.6436	2.0623
H5	1.0922	2.1516	2.4330	2.6436		3.1542
H6	2.1786	1.0923	2.9457	2.0623	3.1542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.884	C1	C2	H6	126.386
C2	C1	Cl3	120.413	C2	C1	H5	123.611
Cl3	C1	H5	115.976	F4	C2	H6	113.730

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

using model chemistry: QCISD(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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