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	hartrees
Energy at 0K	-830.042907
Energy at 298.15K
HF Energy	-829.351258
Nuclear repulsion energy	289.200338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1846	1774	26.81
2	A'	1374	1320	87.65
3	A'	1235	1187	108.57
4	A'	1043	1002	148.64
5	A'	668	642	4.65
6	A'	509	489	1.67
7	A'	444	427	1.51
8	A'	326	313	1.12
9	A'	189	182	4.77
10	A"	583	560	5.00
11	A"	386	371	5.68
12	A"	173	167	0.05

Atom	x (Å)	y (Å)
C1	-0.694	-0.644
C2	0.000	0.489
F3	-2.051	-0.700
F4	-0.114	-1.869
F5	-0.628	1.711
Cl6	1.723	0.509

	C1	C2	F3	F4	F5	Cl6
C1		1.3285	1.3582	1.3554	2.3551	2.6774
C2	1.3285		2.3705	2.3610	1.3732	1.7233
F3	1.3582	2.3705		2.2624	2.7987	3.9626
F4	1.3554	2.3610	2.2624		3.6161	3.0045
F5	2.3551	1.3732	2.7987	3.6161		2.6406
Cl6	2.6774	1.7233	3.9626	3.0045	2.6406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.312	C1	C2	Cl6	122.110
C2	C1	F3	123.833	C2	C1	F4	123.206
F3	C1	F4	112.961	F5	C2	Cl6	116.578

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)

using model chemistry: QCISD/3-21G*

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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All results from a given calculation for C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: QCISD/3-21G*

States and conformations

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)