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	hartrees
Energy at 0K	-636.500263
Energy at 298.15K	-636.502270
HF Energy	-635.821951
Nuclear repulsion energy	138.231096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3260	3184
2	A'	3246	3171
3	A'	1709	1670
4	A'	1339	1308
5	A'	1267	1238
6	A'	1159	1133
7	A'	896	875
8	A'	449	438
9	A'	272	266
10	A"	914	893
11	A"	767	750
12	A"	272	266

Atom	x (Å)	y (Å)
C1	0.000	0.490
C2	1.027	-0.382
Cl3	-1.651	-0.088
F4	2.314	0.082
H5	0.127	1.575
H6	0.955	-1.473

	C1	C2	Cl3	F4	H5	H6
C1		1.3469	1.7492	2.3497	1.0931	2.1822
C2	1.3469		2.6942	1.3685	2.1542	1.0931
Cl3	1.7492	2.6942		3.9690	2.4346	2.9510
F4	2.3497	1.3685	3.9690		2.6481	2.0657
H5	1.0931	2.1542	2.4346	2.6481		3.1583
H6	2.1822	1.0931	2.9510	2.0657	3.1583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.837	C1	C2	H6	126.532
C2	C1	Cl3	120.406	C2	C1	H5	123.653
Cl3	C1	H5	115.940	F4	C2	H6	113.630

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

using model chemistry: MP4/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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