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	hartrees
Energy at 0K	-834.573482
Energy at 298.15K
HF Energy	-833.531968
Nuclear repulsion energy	291.314009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1872	1814	49.90
2	A'	1337	1295	155.59
3	A'	1214	1176	190.98
4	A'	1062	1029	230.03
5	A'	687	666	2.22
6	A'	512	496	1.20
7	A'	460	445	1.41
8	A'	337	326	1.43
9	A'	186	180	2.67
10	A"	545	528	2.43
11	A"	369	357	1.70
12	A"	172	166	0.04

Atom	x (Å)	y (Å)
C1	-0.681	-0.680
C2	0.000	0.472
F3	-2.009	-0.745
F4	-0.113	-1.881
F5	-0.662	1.646
Cl6	1.714	0.592

	C1	C2	F3	F4	F5	Cl6
C1		1.3380	1.3300	1.3287	2.3253	2.7117
C2	1.3380		2.3490	2.3556	1.3473	1.7183
F3	1.3300	2.3490		2.2108	2.7440	3.9561
F4	1.3287	2.3556	2.2108		3.5689	3.0745
F5	2.3253	1.3473	2.7440	3.5689		2.5990
Cl6	2.7117	1.7183	3.9561	3.0745	2.5990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	119.987	C1	C2	Cl6	124.594
C2	C1	F3	123.395	C2	C1	F4	124.096
F3	C1	F4	112.509	F5	C2	Cl6	115.420

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

using model chemistry: QCISD/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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All results from a given calculation for C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: QCISD/aug-cc-pVDZ

States and conformations

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