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	hartrees
Energy at 0K	-177.550433
Energy at 298.15K
HF Energy	-176.962568
Nuclear repulsion energy	67.727231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3309	1.63
2	A'	3251	3251	5.88
3	A'	3206	3206	0.85
4	A'	1751	1751	97.89
5	A'	1445	1445	6.08
6	A'	1358	1358	1.86
7	A'	1207	1207	96.07
8	A'	963	963	35.41
9	A'	492	492	4.46
10	A"	980	980	36.91
11	A"	902	902	41.64
12	A"	740	740	2.88

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.183	-0.154
F3	-1.141	-0.266
H4	-0.173	1.498
H5	1.278	-1.229
H6	2.071	0.457

	C1	C2	F3	H4	H5	H6
C1		1.3206	1.3386	1.0794	2.0959	2.0709
C2	1.3206		2.3272	2.1377	1.0787	1.0777
F3	1.3386	2.3272		2.0129	2.6034	3.2926
H4	1.0794	2.1377	2.0129		3.0889	2.4739
H5	2.0959	1.0787	2.6034	3.0889		1.8628
H6	2.0709	1.0777	3.2926	2.4739	1.8628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.421	C1	C2	H6	119.073
C2	C1	F3	122.117	C2	C1	H4	125.624
F3	C1	H4	112.259	H5	C2	H6	119.505

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

using model chemistry: CCD/Def2TZVPP

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: CCD/Def2TZVPP

States and conformations

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