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	hartrees
Energy at 0K	-636.722794
Energy at 298.15K	-636.724832
HF Energy	-635.885943
Nuclear repulsion energy	139.766942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3233	3146
2	A'	3226	3139
3	A'	1671	1626
4	A'	1309	1274
5	A'	1228	1195
6	A'	1127	1096
7	A'	879	855
8	A'	446	434
9	A'	264	257
10	A"	905	880
11	A"	776	755
12	A"	268	260

Atom	x (Å)	y (Å)
C1	0.000	0.484
C2	1.019	-0.374
Cl3	-1.635	-0.087
F4	2.289	0.080
H5	0.132	1.556
H6	0.941	-1.453

	C1	C2	Cl3	F4	H5	H6
C1		1.3324	1.7317	2.3244	1.0803	2.1536
C2	1.3324		2.6693	1.3488	2.1248	1.0815
Cl3	1.7317	2.6693		3.9273	2.4129	2.9156
F4	2.3244	1.3488	3.9273		2.6140	2.0413
H5	1.0803	2.1248	2.4129	2.6140		3.1163
H6	2.1536	1.0815	2.9156	2.0413	3.1163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.207	C1	C2	H6	125.977
C2	C1	Cl3	120.629	C2	C1	H5	123.097
Cl3	C1	H5	116.273	F4	C2	H6	113.816

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

using model chemistry: MP4/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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