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	hartrees
Energy at 0K	-177.779891
Energy at 298.15K
HF Energy	-177.580752
Nuclear repulsion energy	67.676633

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'	3292	3146	1.71	39.17	0.68	0.81
2	A'	3231	3087	6.99	119.74	0.24	0.38
3	A'	3197	3055	0.99	58.94	0.14	0.25
4	A'	1717	1641	103.26	20.52	0.06	0.11
5	A'	1430	1366	4.87	3.64	0.50	0.67
6	A'	1346	1286	2.23	15.28	0.50	0.66
7	A'	1183	1130	94.64	1.76	0.15	0.26
8	A'	947	905	38.80	4.54	0.35	0.52
9	A'	488	466	4.13	1.71	0.62	0.76
10	A"	977	934	31.59	1.00	0.75	0.86
11	A"	899	859	49.53	2.24	0.75	0.86
12	A"	740	707	2.69	2.69	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.432
C2	1.185	-0.146
F3	-1.142	-0.274
H4	-0.181	1.495
H5	1.286	-1.219
H6	2.069	0.468

	C1	C2	F3	H4	H5	H6
C1		1.3185	1.3430	1.0783	2.0926	2.0689
C2	1.3185		2.3307	2.1356	1.0771	1.0761
F3	1.3430	2.3307		2.0132	2.6056	3.2955
H4	1.0783	2.1356	2.0132		3.0850	2.4733
H5	2.0926	1.0771	2.6056	3.0850		1.8592
H6	2.0689	1.0761	3.2955	2.4733	1.8592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.407	C1	C2	H6	119.181
C2	C1	F3	122.261	C2	C1	H4	125.701
F3	C1	H4	112.038	H5	C2	H6	119.412

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

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

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	0.115
2	C	-0.330
3	F	-0.185
4	H	0.115
5	H	0.145
6	H	0.140

	x	y	z	Total
	1.086	0.808	0.000	1.354
CHELPG
AIM
ESP

	x	y	z
x	4.757	-0.500	0.000
y	-0.500	3.589	0.000
z	0.000	0.000	2.337

<r²>	42.869
(<r²>)^1/2	6.547

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

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

States and conformations

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