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	hartrees
Energy at 0K	-176.650239
Energy at 298.15K
HF Energy	-176.650239
Nuclear repulsion energy	66.357198

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'	3219	3189	3.24	40.50	0.72	0.84
2	A'	3132	3103	5.98	131.12	0.16	0.27
3	A'	3114	3085	12.11	23.78	0.72	0.84
4	A'	1682	1666	76.57	9.13	0.09	0.17
5	A'	1434	1421	3.52	3.58	0.59	0.74
6	A'	1344	1332	1.23	17.24	0.64	0.78
7	A'	1160	1150	52.40	3.11	0.16	0.28
8	A'	934	926	18.58	5.30	0.39	0.56
9	A'	467	463	2.69	1.86	0.68	0.81
10	A"	974	965	30.44	0.70	0.75	0.86
11	A"	876	868	78.71	1.38	0.75	0.86
12	A"	719	713	1.92	9.94	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	1.212	-0.123
F3	-1.171	-0.296
H4	-0.170	1.512
H5	1.345	-1.206
H6	2.097	0.513

	C1	C2	F3	H4	H5	H6
C1		1.3328	1.3789	1.0941	2.1190	2.0989
C2	1.3328		2.3895	2.1412	1.0911	1.0904
F3	1.3789	2.3895		2.0669	2.6758	3.3674
H4	1.0941	2.1412	2.0669		3.1121	2.4778
H5	2.1190	1.0911	2.6758	3.1121		1.8768
H6	2.0989	1.0904	3.3674	2.4778	1.8768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.592	C1	C2	H6	119.697
C2	C1	F3	123.564	C2	C1	H4	123.546
F3	C1	H4	112.891	H5	C2	H6	118.711

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

using model chemistry: PBEPBE/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	0.070
2	C	-0.472
3	F	-0.237
4	H	0.205
5	H	0.220
6	H	0.213

	x	y	z	Total
	0.942	0.734	0.000	1.194
CHELPG
AIM
ESP

	x	y	z
x	4.280	-0.409	0.000
y	-0.409	3.038	0.000
z	0.000	0.000	1.013

<r²>	44.051
(<r²>)^1/2	6.637

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

using model chemistry: PBEPBE/3-21G

States and conformations

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