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	hartrees
Energy at 0K	-177.786341
Energy at 298.15K
HF Energy	-177.786341
Nuclear repulsion energy	66.286009

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'	3302	3177	7.56	40.34	0.70	0.82
2	A'	3256	3132	9.70	119.14	0.27	0.43
3	A'	3202	3081	0.25	65.91	0.14	0.25
4	A'	1720	1655	71.67	13.07	0.09	0.17
5	A'	1462	1406	3.12	7.79	0.48	0.64
6	A'	1356	1305	0.28	15.60	0.59	0.74
7	A'	1154	1110	61.81	2.87	0.34	0.51
8	A'	925	890	37.65	5.77	0.36	0.53
9	A'	467	450	4.27	2.33	0.68	0.81
10	A"	987	949	50.14	0.68	0.75	0.86
11	A"	932	897	57.46	1.77	0.75	0.86
12	A"	720	693	0.92	9.39	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.450
C2	1.209	-0.103
F3	-1.162	-0.326
H4	-0.235	1.506
H5	1.348	-1.177
H6	2.089	0.528

	C1	C2	F3	H4	H5	H6
C1		1.3289	1.3968	1.0819	2.1119	2.0903
C2	1.3289		2.3807	2.1612	1.0826	1.0829
F3	1.3968	2.3807		2.0531	2.6492	3.3607
H4	1.0819	2.1612	2.0531		3.1141	2.5209
H5	2.1119	1.0826	2.6492	3.1141		1.8587
H6	2.0903	1.0829	3.3607	2.5209	1.8587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.933	C1	C2	H6	119.809
C2	C1	F3	121.697	C2	C1	H4	127.091
F3	C1	H4	111.212	H5	C2	H6	118.257

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

using model chemistry: TPSSh/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	0.168
2	C	-0.361
3	F	-0.321
4	H	0.172
5	H	0.177
6	H	0.166

	x	y	z	Total
	1.464	1.006	0.000	1.776
CHELPG
AIM
ESP

	x	y	z
x	4.475	-0.423	0.000
y	-0.423	3.107	0.000
z	0.000	0.000	1.218

<r²>	43.969
(<r²>)^1/2	6.631

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

using model chemistry: TPSSh/6-31G

States and conformations

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