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	hartrees
Energy at 0K	-834.905146
Energy at 298.15K
HF Energy	-833.647813
Nuclear repulsion energy	294.733769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1890	1806	60.22
2	A'	1398	1336	161.43
3	A'	1268	1211	203.37
4	A'	1094	1046	227.32
5	A'	712	680	3.45
6	A'	529	505	1.25
7	A'	470	449	0.77
8	A'	345	330	1.44
9	A'	192	183	2.63
10	A"	581	555	2.38
11	A"	389	372	1.44
12	A"	175	167	0.04

Atom	x (Å)	y (Å)
C1	-0.686	-0.661
C2	0.000	0.472
F3	-1.996	-0.712
F4	-0.137	-1.850
F5	-0.631	1.640
Cl6	1.705	0.555

	C1	C2	F3	F4	F5	Cl6
C1		1.3251	1.3106	1.3092	2.3016	2.6829
C2	1.3251		2.3207	2.3262	1.3271	1.7073
F3	1.3106	2.3207		2.1793	2.7189	3.9119
F4	1.3092	2.3262	2.1793		3.5243	3.0295
F5	2.3016	1.3271	2.7189	3.5243		2.5760
Cl6	2.6829	1.7073	3.9119	3.0295	2.5760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.414	C1	C2	Cl6	123.962
C2	C1	F3	123.402	C2	C1	F4	124.022
F3	C1	F4	112.576	F5	C2	Cl6	115.624

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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