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	hartrees
Energy at 0K	-177.775984
Energy at 298.15K
HF Energy	-177.775984
Nuclear repulsion energy	67.445470

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'	3304	3147	0.96	46.12	0.72	0.84
2	A'	3225	3072	9.02	126.45	0.24	0.38
3	A'	3190	3038	1.18	52.56	0.15	0.27
4	A'	1756	1672	108.74	21.53	0.10	0.18
5	A'	1401	1335	5.42	2.50	0.60	0.75
6	A'	1331	1268	1.45	18.05	0.58	0.73
7	A'	1190	1133	106.86	1.90	0.13	0.22
8	A'	949	904	33.82	4.47	0.41	0.58
9	A'	487	464	4.33	1.67	0.67	0.80
10	A"	981	935	22.62	1.23	0.75	0.86
11	A"	889	847	53.96	2.12	0.75	0.86
12	A"	739	704	1.27	6.41	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.187	-0.155
F3	-1.146	-0.264
H4	-0.173	1.509
H5	1.281	-1.242
H6	2.086	0.461

	C1	C2	F3	H4	H5	H6
C1		1.3241	1.3406	1.0928	2.1065	2.0860
C2	1.3241		2.3365	2.1499	1.0908	1.0894
F3	1.3406	2.3365		2.0234	2.6167	3.3127
H4	1.0928	2.1499	2.0234		3.1118	2.4901
H5	2.1065	1.0908	2.6167	3.1118		1.8838
H6	2.0860	1.0894	3.3127	2.4901	1.8838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.156	C1	C2	H6	119.291
C2	C1	F3	122.531	C2	C1	H4	125.356
F3	C1	H4	112.113	H5	C2	H6	119.553

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

using model chemistry: wB97X-D/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	0.131
2	C	-0.112
3	F	-0.180
4	H	0.039
5	H	0.062
6	H	0.060

	x	y	z	Total
	1.002	0.799	0.000	1.281
CHELPG
AIM
ESP

	x	y	z
x	4.493	-0.568	0.000
y	-0.568	3.368	0.000
z	0.000	0.000	1.662

<r²>	42.880
(<r²>)^1/2	6.548

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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