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	hartrees
Energy at 0K	-177.783178
Energy at 298.15K
HF Energy	-177.783178
Nuclear repulsion energy	67.077481

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'	3193	3175	4.01	43.79	0.71	0.83
2	A'	3110	3093	6.32	147.91	0.17	0.30
3	A'	3094	3077	8.58	17.46	0.62	0.76
4	A'	1659	1650	91.25	11.22	0.07	0.13
5	A'	1385	1378	3.42	2.89	0.55	0.71
6	A'	1310	1303	3.39	18.30	0.57	0.72
7	A'	1146	1140	74.78	2.78	0.09	0.17
8	A'	919	914	29.24	5.22	0.34	0.51
9	A'	469	466	3.36	1.38	0.61	0.76
10	A"	946	941	23.28	0.24	0.75	0.86
11	A"	830	826	35.15	0.65	0.75	0.86
12	A"	716	712	1.29	6.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.197	-0.155
F3	-1.156	-0.265
H4	-0.177	1.509
H5	1.307	-1.238
H6	2.094	0.462

	C1	C2	F3	H4	H5	H6
C1		1.3321	1.3490	1.0932	2.1193	2.0946
C2	1.3321		2.3557	2.1576	1.0893	1.0886
F3	1.3490	2.3557		2.0260	2.6484	3.3308
H4	1.0932	2.1576	2.0260		3.1223	2.5013
H5	2.1193	1.0893	2.6484	3.1223		1.8735
H6	2.0946	1.0886	3.3308	2.5013	1.8735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.827	C1	C2	H6	119.492
C2	C1	F3	122.951	C2	C1	H4	125.362
F3	C1	H4	111.687	H5	C2	H6	118.681

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

using model chemistry: BLYP/6-31G(2df,p)

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	0.076
2	C	-0.325
3	F	-0.056
4	H	0.092
5	H	0.104
6	H	0.109

	x	y	z	Total
	0.842	0.663	0.000	1.071
CHELPG
AIM
ESP

	x	y	z
x	4.663	-0.468	0.000
y	-0.468	3.554	0.000
z	0.000	0.000	1.915

<r²>	43.293
(<r²>)^1/2	6.580

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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