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	hartrees
Energy at 0K	-177.822071
Energy at 298.15K
HF Energy	-177.822071
Nuclear repulsion energy	65.977023

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'	3306	3177	8.87	33.00	0.67	0.80
2	A'	3252	3126	9.33	103.07	0.26	0.41
3	A'	3190	3067	0.54	65.89	0.14	0.24
4	A'	1695	1629	88.28	19.32	0.11	0.20
5	A'	1427	1372	4.56	7.81	0.50	0.67
6	A'	1326	1275	0.33	15.19	0.61	0.76
7	A'	1133	1089	77.73	3.48	0.32	0.49
8	A'	902	867	44.85	6.57	0.34	0.50
9	A'	463	445	3.92	3.11	0.67	0.80
10	A"	975	937	128.96	0.06	0.75	0.86
11	A"	956	919	13.79	7.11	0.75	0.86
12	A"	709	681	4.00	6.21	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.452
C2	1.215	-0.106
F3	-1.167	-0.327
H4	-0.233	1.513
H5	1.352	-1.182
H6	2.096	0.528

	C1	C2	F3	H4	H5	H6
C1		1.3369	1.4033	1.0861	2.1211	2.0975
C2	1.3369		2.3923	2.1721	1.0854	1.0854
F3	1.4033	2.3923		2.0631	2.6601	3.3734
H4	1.0861	2.1721	2.0631		3.1269	2.5292
H5	2.1211	1.0854	2.6601	3.1269		1.8654
H6	2.0975	1.0854	3.3734	2.5292	1.8654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.902	C1	C2	H6	119.609
C2	C1	F3	121.609	C2	C1	H4	127.081
F3	C1	H4	111.309	H5	C2	H6	118.488

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

using model chemistry: B3LYP/LANL2DZ

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	0.054
2	C	-0.484
3	F	-0.242
4	H	0.214
5	H	0.233
6	H	0.224

	x	y	z	Total
	1.752	1.156	0.000	2.099
CHELPG
AIM
ESP

	x	y	z
x	4.540	-0.511	0.000
y	-0.511	2.916	0.000
z	0.000	0.000	1.406

<r²>	44.408
(<r²>)^1/2	6.664

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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