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	hartrees
Energy at 0K	-176.963280
Energy at 298.15K
HF Energy	-176.963280
Nuclear repulsion energy	68.479580

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'	3407	3088	5.35	34.92	0.59	0.74
2	A'	3370	3054	5.77	96.44	0.31	0.48
3	A'	3311	3001	0.53	68.16	0.17	0.29
4	A'	1857	1683	131.61	49.58	0.08	0.15
5	A'	1538	1394	6.81	4.39	0.33	0.50
6	A'	1443	1308	3.45	21.60	0.40	0.57
7	A'	1278	1158	122.42	2.21	0.15	0.26
8	A'	1027	931	52.17	5.55	0.29	0.45
9	A'	528	478	5.13	1.89	0.65	0.79
10	A"	1082	981	21.37	4.12	0.75	0.86
11	A"	1022	927	74.71	4.25	0.75	0.86
12	A"	800	725	2.84	1.83	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.425
C2	1.169	-0.155
F3	-1.130	-0.259
H4	-0.168	1.483
H5	1.266	-1.223
H6	2.054	0.448

	C1	C2	F3	H4	H5	H6
C1		1.3054	1.3209	1.0714	2.0783	2.0541
C2	1.3054		2.3015	2.1151	1.0722	1.0708
F3	1.3209	2.3015		1.9901	2.5826	3.2614
H4	1.0714	2.1151	1.9901		3.0629	2.4516
H5	2.0783	1.0722	2.5826	3.0629		1.8475
H6	2.0541	1.0708	3.2614	2.4516	1.8475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.578	C1	C2	H6	119.318
C2	C1	F3	122.401	C2	C1	H4	125.436
F3	C1	H4	112.163	H5	C2	H6	119.104

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

using model chemistry: HF/Def2TZVPP

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	0.198
2	C	-0.173
3	F	-0.265
4	H	0.082
5	H	0.081
6	H	0.077

	x	y	z	Total
	1.202	0.887	0.000	1.494
CHELPG
AIM
ESP

	x	y	z
x	4.694	-0.649	0.000
y	-0.649	3.498	0.000
z	0.000	0.000	2.638

<r²>	42.145
(<r²>)^1/2	6.492

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

using model chemistry: HF/Def2TZVPP

States and conformations

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