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	hartrees
Energy at 0K	-177.328903
Energy at 298.15K
HF Energy	-176.880293
Nuclear repulsion energy	67.090046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	3148	4.34
2	A'	3246	3092	10.22
3	A'	3209	3056	0.81
4	A'	1751	1667	76.47
5	A'	1455	1385	5.01
6	A'	1358	1293	0.79
7	A'	1197	1140	82.46
8	A'	959	913	32.70
9	A'	484	461	4.38
10	A"	965	919	34.61
11	A"	868	827	44.07
12	A"	729	694	0.09

Atom	x (Å)	y (Å)
C1	0.000	0.440
C2	1.193	-0.146
F3	-1.150	-0.279
H4	-0.190	1.510
H5	1.294	-1.227
H6	2.091	0.464

	C1	C2	F3	H4	H5	H6
C1		1.3293	1.3569	1.0868	2.1103	2.0908
C2	1.3293		2.3474	2.1575	1.0856	1.0849
F3	1.3569	2.3474		2.0312	2.6218	3.3251
H4	1.0868	2.1575	2.0312		3.1133	2.5091
H5	2.1103	1.0856	2.6218	3.1133		1.8686
H6	2.0908	1.0849	3.3251	2.5091	1.8686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.497	C1	C2	H6	119.668
C2	C1	F3	121.819	C2	C1	H4	126.208
F3	C1	H4	111.972	H5	C2	H6	118.834

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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