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	hartrees
Energy at 0K	-636.433203
Energy at 298.15K	-636.435241
HF Energy	-635.787203
Nuclear repulsion energy	139.290032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3296	3296
2	A'	3290	3290
3	A'	1705	1705
4	A'	1336	1336
5	A'	1273	1273
6	A'	1130	1130
7	A'	893	893
8	A'	446	446
9	A'	272	272
10	A"	902	902
11	A"	766	766
12	A"	266	266

Atom	x (Å)	y (Å)
C1	0.000	0.476
C2	1.020	-0.387
Cl3	-1.641	-0.079
F4	2.298	0.081
H5	0.139	1.546
H6	0.957	-1.466

	C1	C2	Cl3	F4	H5	H6
C1		1.3360	1.7324	2.3320	1.0795	2.1643
C2	1.3360		2.6787	1.3617	2.1249	1.0802
Cl3	1.7324	2.6787		3.9427	2.4103	2.9446
F4	2.3320	1.3617	3.9427		2.6099	2.0476
H5	1.0795	2.1249	2.4103	2.6099		3.1211
H6	2.1643	1.0802	2.9446	2.0476	3.1211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.638	C1	C2	H6	126.894
C2	C1	Cl3	121.076	C2	C1	H5	122.863
Cl3	C1	H5	116.062	F4	C2	H6	113.469

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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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