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	hartrees
Energy at 0K	-176.887574
Energy at 298.15K
HF Energy	-176.887574
Nuclear repulsion energy	68.225731

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'	3438	3103	7.67	37.15	0.64	0.78
2	A'	3402	3070	9.08	100.82	0.31	0.47
3	A'	3341	3016	0.41	62.09	0.15	0.27
4	A'	1892	1708	113.63	27.90	0.14	0.25
5	A'	1549	1398	6.88	3.97	0.51	0.68
6	A'	1450	1309	1.73	22.48	0.51	0.68
7	A'	1284	1159	114.72	2.77	0.12	0.21
8	A'	1030	930	46.53	5.44	0.36	0.53
9	A'	523	472	5.46	1.61	0.69	0.82
10	A"	1091	985	17.29	2.52	0.75	0.86
11	A"	1025	925	72.80	2.59	0.75	0.86
12	A"	800	722	0.07	9.33	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.429
C2	1.174	-0.149
F3	-1.133	-0.266
H4	-0.176	1.487
H5	1.270	-1.219
H6	2.062	0.453

	C1	C2	F3	H4	H5	H6
C1		1.3081	1.3292	1.0730	2.0799	2.0619
C2	1.3081		2.3097	2.1209	1.0739	1.0728
F3	1.3292	2.3097		1.9977	2.5849	3.2748
H4	1.0730	2.1209	1.9977		3.0678	2.4651
H5	2.0799	1.0739	2.5849	3.0678		1.8495
H6	2.0619	1.0728	3.2748	2.4651	1.8495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.351	C1	C2	H6	119.671
C2	C1	F3	122.276	C2	C1	H4	125.633
F3	C1	H4	112.091	H5	C2	H6	118.978

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

using model chemistry: HF/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	0.298
2	C	-0.361
3	F	-0.369
4	H	0.137
5	H	0.153
6	H	0.142

	x	y	z	Total
	1.209	0.937	0.000	1.530
CHELPG
AIM
ESP

	x	y	z
x	4.317	-0.652	0.000
y	-0.652	3.165	0.000
z	0.000	0.000	1.470

<r²>	42.164
(<r²>)^1/2	6.493

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

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

States and conformations

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