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	hartrees
Energy at 0K	-177.768212
Energy at 298.15K
HF Energy	-177.768212
Nuclear repulsion energy	67.595645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3310	3310	3.07	42.58	0.72	0.84
2	A'	3235	3235	11.56	121.83	0.22	0.37
3	A'	3205	3205	1.82	41.35	0.17	0.29
4	A'	1768	1768	102.07	16.23	0.10	0.19
5	A'	1437	1437	5.10	2.88	0.57	0.72
6	A'	1353	1353	1.93	19.02	0.56	0.72
7	A'	1208	1208	99.03	2.69	0.11	0.20
8	A'	960	960	29.75	4.69	0.41	0.58
9	A'	491	491	3.99	1.51	0.67	0.80
10	A"	991	991	22.80	0.81	0.75	0.86
11	A"	897	897	60.62	1.14	0.75	0.86
12	A"	743	743	0.65	8.90	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	1.185	-0.153
F3	-1.145	-0.266
H4	-0.174	1.502
H5	1.283	-1.232
H6	2.079	0.458

	C1	C2	F3	H4	H5	H6
C1		1.3213	1.3401	1.0855	2.0999	2.0790
C2	1.3213		2.3327	2.1418	1.0833	1.0823
F3	1.3401	2.3327		2.0173	2.6123	3.3037
H4	1.0855	2.1418	2.0173		3.0979	2.4829
H5	2.0999	1.0833	2.6123	3.0979		1.8680
H6	2.0790	1.0823	3.3037	2.4829	1.8680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.369	C1	C2	H6	119.419
C2	C1	F3	122.445	C2	C1	H4	125.433
F3	C1	H4	112.122	H5	C2	H6	119.212

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	0.214
2	C	-0.346
3	F	-0.280
4	H	0.126
5	H	0.147
6	H	0.139

	x	y	z	Total
	1.001	0.791	0.000	1.276
CHELPG
AIM
ESP

	x	y	z
x	4.405	-0.542	0.000
y	-0.542	3.288	0.000
z	0.000	0.000	1.503

<r²>	42.613
(<r²>)^1/2	6.528

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

using model chemistry: wB97X-D/6-31G**

States and conformations

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