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	hartrees
Energy at 0K	-177.655977
Energy at 298.15K
HF Energy	-177.510879
Nuclear repulsion energy	67.380696

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'	3331	3331	3.14	41.46	0.72	0.84
2	A'	3256	3256	10.79	113.92	0.23	0.38
3	A'	3227	3227	1.26	46.39	0.15	0.27
4	A'	1744	1744	90.59	11.42	0.09	0.16
5	A'	1449	1449	5.30	3.12	0.55	0.71
6	A'	1357	1357	1.89	18.40	0.56	0.72
7	A'	1196	1196	87.48	2.58	0.13	0.23
8	A'	956	956	31.14	4.90	0.39	0.57
9	A'	484	484	4.08	1.50	0.66	0.79
10	A"	983	983	27.58	0.49	0.75	0.86
11	A"	873	873	46.52	0.90	0.75	0.86
12	A"	738	738	0.29	8.85	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	1.190	-0.149
F3	-1.148	-0.273
H4	-0.178	1.502
H5	1.289	-1.225
H6	2.081	0.462

	C1	C2	F3	H4	H5	H6
C1		1.3254	1.3483	1.0828	2.1009	2.0809
C2	1.3254		2.3417	2.1442	1.0807	1.0797
F3	1.3483	2.3417		2.0228	2.6164	3.3113
H4	1.0828	2.1442	2.0228		3.0965	2.4866
H5	2.1009	1.0807	2.6164	3.0965		1.8634
H6	2.0809	1.0797	3.3113	2.4866	1.8634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.327	C1	C2	H6	119.464
C2	C1	F3	122.290	C2	C1	H4	125.548
F3	C1	H4	112.163	H5	C2	H6	119.209

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

using model chemistry: B2PLYP/6-31G**

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	0.233
2	C	-0.297
3	F	-0.288
4	H	0.107
5	H	0.126
6	H	0.119

	x	y	z	Total
	1.028	0.790	0.000	1.296
CHELPG
AIM
ESP

	x	y	z
x	4.357	-0.498	-0.000
y	-0.498	3.248	0.000
z	-0.000	0.000	1.482

<r²>	42.908
(<r²>)^1/2	6.550

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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