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	hartrees
Energy at 0K	-176.809692
Energy at 298.15K
HF Energy	-176.809692
Nuclear repulsion energy	66.963509

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'	3316	3165	2.09	37.35	0.70	0.82
2	A'	3243	3096	11.44	115.25	0.24	0.38
3	A'	3218	3072	1.86	34.03	0.18	0.30
4	A'	1757	1677	79.21	11.70	0.10	0.18
5	A'	1485	1417	3.66	3.96	0.58	0.73
6	A'	1390	1327	0.80	16.97	0.62	0.77
7	A'	1205	1150	61.33	2.75	0.17	0.29
8	A'	972	928	22.77	4.91	0.38	0.55
9	A'	484	462	3.42	1.89	0.68	0.81
10	A"	1026	980	22.57	1.38	0.75	0.86
11	A"	953	910	97.72	1.75	0.75	0.86
12	A"	747	713	1.12	9.95	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.200	-0.119
F3	-1.159	-0.298
H4	-0.177	1.498
H5	1.328	-1.193
H6	2.080	0.508

	C1	C2	F3	H4	H5	H6
C1		1.3197	1.3685	1.0825	2.0978	2.0811
C2	1.3197		2.3654	2.1240	1.0816	1.0809
F3	1.3685	2.3654		2.0469	2.6436	3.3373
H4	1.0825	2.1240	2.0469		3.0838	2.4638
H5	2.0978	1.0816	2.6436	3.0838		1.8603
H6	2.0811	1.0809	3.3373	2.4638	1.8603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.441	C1	C2	H6	119.871
C2	C1	F3	123.255	C2	C1	H4	124.003
F3	C1	H4	112.742	H5	C2	H6	118.688

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

using model chemistry: mPW1PW91/3-21G

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	0.100
2	C	-0.510
3	F	-0.287
4	H	0.226
5	H	0.241
6	H	0.230

	x	y	z	Total
	1.158	0.858	0.000	1.441
CHELPG
AIM
ESP

	x	y	z
x	4.155	-0.456	0.000
y	-0.456	2.927	0.000
z	0.000	0.000	0.983

<r²>	43.396
(<r²>)^1/2	6.588

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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