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	hartrees
Energy at 0K	-636.443359
Energy at 298.15K	-636.445406
HF Energy	-635.808818
Nuclear repulsion energy	138.852819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3247	3095
2	A'	3237	3085
3	A'	1701	1622
4	A'	1311	1250
5	A'	1224	1166
6	A'	1156	1102
7	A'	883	841
8	A'	447	426
9	A'	267	255
10	A"	911	868
11	A"	771	735
12	A"	270	257

Atom	x (Å)	y (Å)
C1	0.000	0.488
C2	1.031	-0.377
Cl3	-1.647	-0.082
F4	2.303	0.070
H5	0.140	1.573
H6	0.938	-1.469

	C1	C2	Cl3	F4	H5	H6
C1		1.3460	1.7426	2.3406	1.0944	2.1697
C2	1.3460		2.6942	1.3478	2.1441	1.0957
Cl3	1.7426	2.6942		3.9525	2.4359	2.9329
F4	2.3406	1.3478	3.9525		2.6339	2.0568
H5	1.0944	2.1441	2.4359	2.6339		3.1447
H6	2.1697	1.0957	2.9329	2.0568	3.1447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.662	C1	C2	H6	125.082
C2	C1	Cl3	120.923	C2	C1	H5	122.618
Cl3	C1	H5	116.459	F4	C2	H6	114.256

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

using model chemistry: QCISD(T)/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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