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	hartrees
Energy at 0K	-177.638766
Energy at 298.15K
HF Energy	-177.638766
Nuclear repulsion energy	67.465511

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'	3309	3182	0.61	46.28	0.72	0.84
2	A'	3226	3101	8.63	133.21	0.23	0.37
3	A'	3195	3072	1.66	49.61	0.16	0.27
4	A'	1751	1684	108.83	19.66	0.09	0.17
5	A'	1392	1338	5.64	2.27	0.61	0.76
6	A'	1322	1271	1.82	17.64	0.59	0.74
7	A'	1191	1145	106.20	2.10	0.12	0.21
8	A'	945	909	28.79	4.49	0.42	0.59
9	A'	480	462	4.00	1.57	0.67	0.80
10	A"	975	938	24.94	0.98	0.75	0.86
11	A"	876	842	51.00	1.93	0.75	0.86
12	A"	738	710	1.54	6.34	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.187	-0.158
F3	-1.147	-0.261
H4	-0.170	1.510
H5	1.278	-1.245
H6	2.087	0.457

	C1	C2	F3	H4	H5	H6
C1		1.3248	1.3387	1.0935	2.1068	2.0871
C2	1.3248		2.3363	2.1505	1.0909	1.0896
F3	1.3387	2.3363		2.0224	2.6169	3.3124
H4	1.0935	2.1505	2.0224		3.1125	2.4906
H5	2.1068	1.0909	2.6169	3.1125		1.8843
H6	2.0871	1.0896	3.3124	2.4906	1.8843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.106	C1	C2	H6	119.321
C2	C1	F3	122.604	C2	C1	H4	125.281
F3	C1	H4	112.115	H5	C2	H6	119.573

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

using model chemistry: PBE1PBE/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	0.128
2	C	-0.110
3	F	-0.175
4	H	0.036
5	H	0.061
6	H	0.060

	x	y	z	Total
	0.965	0.772	0.000	1.236
CHELPG
AIM
ESP

	x	y	z
x	4.481	-0.554	0.000
y	-0.554	3.385	0.000
z	0.000	0.000	1.670

<r²>	42.887
(<r²>)^1/2	6.549

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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