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	hartrees
Energy at 0K	-177.753523
Energy at 298.15K
HF Energy	-177.753523
Nuclear repulsion energy	67.667866

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'	3321	3171	3.16	42.24	0.72	0.84
2	A'	3246	3100	11.72	125.40	0.22	0.36
3	A'	3221	3075	2.35	37.40	0.19	0.31
4	A'	1768	1688	101.06	14.30	0.10	0.17
5	A'	1440	1375	5.65	2.91	0.59	0.74
6	A'	1353	1292	1.63	18.06	0.57	0.73
7	A'	1211	1157	97.98	2.77	0.11	0.20
8	A'	960	917	26.67	4.70	0.42	0.59
9	A'	484	462	3.70	1.44	0.67	0.80
10	A"	987	942	24.44	0.64	0.75	0.86
11	A"	880	840	57.16	1.07	0.75	0.86
12	A"	740	707	0.69	8.90	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.185	-0.153
F3	-1.144	-0.265
H4	-0.176	1.500
H5	1.283	-1.231
H6	2.079	0.455

	C1	C2	F3	H4	H5	H6
C1		1.3203	1.3379	1.0843	2.0987	2.0788
C2	1.3203		2.3311	2.1409	1.0823	1.0812
F3	1.3379	2.3311		2.0121	2.6123	3.3017
H4	1.0843	2.1409	2.0121		3.0960	2.4848
H5	2.0987	1.0823	2.6123	3.0960		1.8642
H6	2.0788	1.0812	3.3017	2.4848	1.8642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.420	C1	C2	H6	119.571
C2	C1	F3	122.549	C2	C1	H4	125.538
F3	C1	H4	111.913	H5	C2	H6	119.009

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

using model chemistry: B1B95/6-31G**

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	0.182
2	C	-0.421
3	F	-0.274
4	H	0.158
5	H	0.181
6	H	0.174

	x	y	z	Total
	0.990	0.771	0.000	1.255
CHELPG
AIM
ESP

	x	y	z
x	4.336	-0.520	0.000
y	-0.520	3.237	0.000
z	0.000	0.000	1.465

<r²>	42.553
(<r²>)^1/2	6.523

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

using model chemistry: B1B95/6-31G**

States and conformations

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