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	hartrees
Energy at 0K	-175.216289
Energy at 298.15K
HF Energy	-175.216289
Nuclear repulsion energy	65.941880

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'	3505	3202	0.46	29.12	0.75	0.85
2	A'	3349	3060	21.22	46.49	0.12	0.22
3	A'	3273	2991	6.67	31.34	0.43	0.60
4	A'	1786	1632	50.10	2.94	0.17	0.30
5	A'	1520	1389	2.49	5.96	0.74	0.85
6	A'	1368	1250	0.50	18.17	0.56	0.72
7	A'	1246	1138	20.97	2.91	0.11	0.20
8	A'	994	908	4.81	4.80	0.45	0.62
9	A'	474	433	0.98	1.27	0.64	0.78
10	A"	994	909	14.04	0.00	0.75	0.86
11	A"	839	766	28.94	0.26	0.75	0.86
12	A"	697	637	0.62	4.04	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.429
C2	1.219	-0.161
F3	-1.184	-0.261
H4	-0.121	1.540
H5	1.336	-1.254
H6	2.130	0.453

	C1	C2	F3	H4	H5	H6
C1		1.3546	1.3709	1.1173	2.1496	2.1300
C2	1.3546		2.4054	2.1656	1.0994	1.0984
F3	1.3709	2.4054		2.0918	2.7094	3.3902
H4	1.1173	2.1656	2.0918		3.1516	2.4996
H5	2.1496	1.0994	2.7094	3.1516		1.8824
H6	2.1300	1.0984	3.3902	2.4996	1.8824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.980	C1	C2	H6	120.171
C2	C1	F3	123.907	C2	C1	H4	122.056
F3	C1	H4	114.038	H5	C2	H6	117.849

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

using model chemistry: PBEPBE/STO-3G

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	-0.004
2	C	-0.209
3	F	-0.033
4	H	0.079
5	H	0.082
6	H	0.085

	x	y	z	Total
	0.064	0.359	0.000	0.365
CHELPG
AIM
ESP

	x	y	z
x	2.948	-0.251	0.000
y	-0.251	1.875	0.000
z	0.000	0.000	0.418

<r²>	43.648
(<r²>)^1/2	6.607

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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