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	hartrees
Energy at 0K	-177.769826
Energy at 298.15K
HF Energy	-177.769826
Nuclear repulsion energy	67.315312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	3164	1.48
2	A'	3234	3105	6.97
3	A'	3194	3067	1.14
4	A'	1724	1656	114.66
5	A'	1410	1354	5.58
6	A'	1332	1278	1.43
7	A'	1173	1126	117.24
8	A'	938	900	39.84
9	A'	482	463	3.62
10	A"	961	923	40.17
11	A"	888	852	62.57
12	A"	725	696	4.55

Atom	x (Å)	y (Å)
C1	0.000	0.436
C2	1.190	-0.146
F3	-1.147	-0.277
H4	-0.194	1.504
H5	1.296	-1.225
H6	2.081	0.470

	C1	C2	F3	H4	H5	H6
C1		1.3247	1.3506	1.0855	2.1072	2.0813
C2	1.3247		2.3404	2.1540	1.0843	1.0836
F3	1.3506	2.3404		2.0199	2.6204	3.3133
H4	1.0855	2.1540	2.0199		3.1098	2.4993
H5	2.1072	1.0843	2.6204	3.1098		1.8685
H6	2.0813	1.0836	3.3133	2.4993	1.8685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.697	C1	C2	H6	119.248
C2	C1	F3	122.038	C2	C1	H4	126.398
F3	C1	H4	111.564	H5	C2	H6	119.055

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

using model chemistry: B3PW91/6-31+G**

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	0.114
2	C	-0.335
3	F	-0.280
4	H	0.160
5	H	0.175
6	H	0.166

	x	y	z	Total
	1.260	0.883	0.000	1.538
CHELPG
AIM
ESP

	x	y	z
x	4.925	-0.576	0.000
y	-0.576	3.562	0.000
z	0.000	0.000	2.622

<r²>	43.214
(<r²>)^1/2	6.574

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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