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	hartrees
Energy at 0K	-177.461770
Energy at 298.15K
HF Energy	-176.952625
Nuclear repulsion energy	67.464157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3163	3.29
2	A'	3255	3109	7.23
3	A'	3209	3066	0.46
4	A'	1731	1654	90.47
5	A'	1445	1381	5.28
6	A'	1362	1301	2.40
7	A'	1188	1135	97.55
8	A'	950	908	40.18
9	A'	489	468	4.42
10	A"	952	910	44.96
11	A"	805	769	38.24
12	A"	718	686	0.85

Atom	x (Å)	y (Å)
C1	0.000	0.438
C2	1.186	-0.148
F3	-1.144	-0.275
H4	-0.186	1.503
H5	1.284	-1.225
H6	2.077	0.462

	C1	C2	F3	H4	H5	H6
C1		1.3235	1.3480	1.0814	2.1007	2.0772
C2	1.3235		2.3338	2.1473	1.0806	1.0797
F3	1.3480	2.3338		2.0202	2.6070	3.3042
H4	1.0814	2.1473	2.0202		3.0986	2.4909
H5	2.1007	1.0806	2.6070	3.0986		1.8637
H6	2.0772	1.0797	3.3042	2.4909	1.8637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.483	C1	C2	H6	119.277
C2	C1	F3	121.757	C2	C1	H4	126.186
F3	C1	H4	112.057	H5	C2	H6	119.240

All results from a given calculation for CH₂CHF (Ethene, fluoro-)

using model chemistry: QCISD/TZVP

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 CH2CHF (Ethene, fluoro-)

using model chemistry: QCISD/TZVP

States and conformations

All results from a given calculation for CH₂CHF (Ethene, fluoro-)