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	hartrees
Energy at 0K	-177.628606
Energy at 298.15K
HF Energy	-177.628606
Nuclear repulsion energy	66.841896

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'	3217	3198	1.37	50.60	0.72	0.84
2	A'	3122	3103	8.84	171.47	0.19	0.32
3	A'	3103	3085	4.32	26.25	0.31	0.47
4	A'	1676	1666	100.13	15.51	0.08	0.14
5	A'	1342	1334	4.67	2.31	0.61	0.76
6	A'	1278	1270	1.80	18.29	0.61	0.76
7	A'	1143	1136	92.52	2.24	0.14	0.24
8	A'	908	903	26.95	4.89	0.43	0.60
9	A'	464	462	3.49	1.59	0.66	0.80
10	A"	929	924	27.00	0.49	0.75	0.86
11	A"	819	814	40.93	1.21	0.75	0.86
12	A"	709	705	1.92	6.86	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.199	-0.156
F3	-1.158	-0.266
H4	-0.175	1.522
H5	1.296	-1.251
H6	2.103	0.466

	C1	C2	F3	H4	H5	H6
C1		1.3362	1.3527	1.1026	2.1247	2.1036
C2	1.3362		2.3597	2.1686	1.0987	1.0973
F3	1.3527	2.3597		2.0406	2.6439	3.3424
H4	1.1026	2.1686	2.0406		3.1382	2.5109
H5	2.1247	1.0987	2.6439	3.1382		1.8966
H6	2.1036	1.0973	3.3424	2.5109	1.8966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.221	C1	C2	H6	119.317
C2	C1	F3	122.698	C2	C1	H4	125.280
F3	C1	H4	112.022	H5	C2	H6	119.462

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.106
2	C	-0.071
3	F	-0.141
4	H	0.019
5	H	0.042
6	H	0.044

	x	y	z	Total
	0.844	0.698	0.000	1.095
CHELPG
AIM
ESP

	x	y	z
x	4.638	-0.515	0.000
y	-0.515	3.524	0.000
z	0.000	0.000	1.692

<r²>	43.542
(<r²>)^1/2	6.599

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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