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	hartrees
Energy at 0K	-636.498998
Energy at 298.15K	-636.501009
HF Energy	-635.822155
Nuclear repulsion energy	138.305609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3242	3170
2	A'	3233	3162
3	A'	1675	1638
4	A'	1301	1272
5	A'	1220	1193
6	A'	1104	1079
7	A'	868	849
8	A'	440	430
9	A'	267	261
10	A"	882	863
11	A"	753	736
12	A"	263	257

Atom	x (Å)	y (Å)
C1	0.000	0.490
C2	1.028	-0.379
Cl3	-1.650	-0.092
F4	2.312	0.087
H5	0.124	1.576
H6	0.956	-1.470

	C1	C2	Cl3	F4	H5	H6
C1		1.3464	1.7499	2.3466	1.0931	2.1807
C2	1.3464		2.6941	1.3655	2.1542	1.0932
Cl3	1.7499	2.6941		3.9662	2.4350	2.9486
F4	2.3466	1.3655	3.9662		2.6464	2.0645
H5	1.0931	2.1542	2.4350	2.6464		3.1576
H6	2.1807	1.0932	2.9486	2.0645	3.1576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.831	C1	C2	H6	126.421
C2	C1	Cl3	120.387	C2	C1	H5	123.694
Cl3	C1	H5	115.919	F4	C2	H6	113.748

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

using model chemistry: QCISD(T)/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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