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	hartrees
Energy at 0K	-636.282059
Energy at 298.15K	-636.284227
HF Energy	-635.776731
Nuclear repulsion energy	140.474993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3365	3115	6.37
2	A'	3354	3105	6.81
3	A'	1826	1690	26.23
4	A'	1396	1292	0.07
5	A'	1314	1217	5.25
6	A'	1218	1128	170.79
7	A'	934	865	51.69
8	A'	471	436	2.01
9	A'	285	264	7.22
10	A"	988	915	54.45
11	A"	861	797	16.43
12	A"	289	268	2.67

Atom	x (Å)	y (Å)
C1	0.000	0.472
C2	1.020	-0.365
Cl3	-1.629	-0.096
F4	2.277	0.098
H5	0.124	1.542
H6	0.957	-1.442

	C1	C2	Cl3	F4	H5	H6
C1		1.3191	1.7251	2.3078	1.0772	2.1395
C2	1.3191		2.6625	1.3405	2.1068	1.0784
Cl3	1.7251	2.6625		3.9114	2.3988	2.9157
F4	2.3078	1.3405	3.9114		2.5925	2.0286
H5	1.0772	2.1068	2.3988	2.5925		3.0977
H6	2.1395	1.0784	2.9157	2.0286	3.0977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.392	C1	C2	H6	126.057
C2	C1	Cl3	121.423	C2	C1	H5	122.773
Cl3	C1	H5	115.804	F4	C2	H6	113.550

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

using model chemistry: CISD/6-31G*

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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