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	hartrees
Energy at 0K	-636.443388
Energy at 298.15K	-636.445437
HF Energy	-635.808747
Nuclear repulsion energy	138.825366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3252	3144
2	A'	3242	3135
3	A'	1696	1640
4	A'	1311	1267
5	A'	1224	1183
6	A'	1152	1114
7	A'	884	855
8	A'	447	432
9	A'	267	258
10	A"	915	885
11	A"	774	748
12	A"	271	262

Atom	x (Å)	y (Å)
C1	0.000	0.488
C2	1.031	-0.379
Cl3	-1.647	-0.079
F4	2.304	0.065
H5	0.143	1.573
H6	0.935	-1.470

	C1	C2	Cl3	F4	H5	H6
C1		1.3464	1.7418	2.3428	1.0943	2.1696
C2	1.3464		2.6944	1.3488	2.1437	1.0956
Cl3	1.7418	2.6944		3.9541	2.4356	2.9331
F4	2.3428	1.3488	3.9541		2.6354	2.0569
H5	1.0943	2.1437	2.4356	2.6354		3.1441
H6	2.1696	1.0956	2.9331	2.0569	3.1441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.753	C1	C2	H6	125.052
C2	C1	Cl3	120.965	C2	C1	H5	122.544
Cl3	C1	H5	116.490	F4	C2	H6	114.195

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

using model chemistry: MP4/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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