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	hartrees
Energy at 0K	-175.247400
Energy at 298.15K
HF Energy	-175.247400
Nuclear repulsion energy	66.574508

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'	3622	3195	1.56	28.69	0.74	0.85
2	A'	3465	3056	24.31	50.11	0.14	0.24
3	A'	3414	3011	11.54	23.55	0.51	0.68
4	A'	1876	1654	52.57	3.86	0.08	0.16
5	A'	1572	1387	2.57	5.94	0.75	0.85
6	A'	1418	1251	0.04	19.66	0.54	0.70
7	A'	1288	1136	24.55	2.39	0.15	0.26
8	A'	1031	909	6.18	4.26	0.46	0.63
9	A'	488	431	1.36	1.23	0.65	0.79
10	A"	1057	932	12.08	0.02	0.75	0.86
11	A"	925	816	30.19	0.43	0.75	0.86
12	A"	732	645	0.32	4.19	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.426
C2	1.206	-0.153
F3	-1.172	-0.265
H4	-0.125	1.527
H5	1.324	-1.238
H6	2.110	0.456

	C1	C2	F3	H4	H5	H6
C1		1.3382	1.3603	1.1072	2.1270	2.1103
C2	1.3382		2.3802	2.1436	1.0913	1.0902
F3	1.3603	2.3802		2.0745	2.6785	3.3598
H4	1.1072	2.1436	2.0745		3.1217	2.4786
H5	2.1270	1.0913	2.6785	3.1217		1.8678
H6	2.1103	1.0902	3.3598	2.4786	1.8678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.871	C1	C2	H6	120.345
C2	C1	F3	123.781	C2	C1	H4	122.176
F3	C1	H4	114.042	H5	C2	H6	117.785

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

using model chemistry: PBE1PBE/STO-3G

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	0.015
2	C	-0.207
3	F	-0.064
4	H	0.083
5	H	0.086
6	H	0.087

	x	y	z	Total
	0.286	0.442	0.000	0.526
CHELPG
AIM
ESP

	x	y	z
x	2.872	-0.283	0.000
y	-0.283	1.836	0.000
z	0.000	0.000	0.401

<r²>	42.998
(<r²>)^1/2	6.557

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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