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	hartrees
Energy at 0K	-177.717754
Energy at 298.15K
HF Energy	-177.717754
Nuclear repulsion energy	67.768319

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'	3282	3282	0.89	39.40	0.69	0.81
2	A'	3212	3212	5.34	119.18	0.21	0.35
3	A'	3181	3181	1.60	60.18	0.10	0.19
4	A'	1726	1726	117.99	44.64	0.03	0.05
5	A'	1409	1409	5.12	4.05	0.28	0.43
6	A'	1333	1333	2.06	16.51	0.36	0.53
7	A'	1184	1184	108.69	2.57	0.16	0.28
8	A'	946	946	38.09	4.70	0.29	0.45
9	A'	487	487	3.77	1.35	0.54	0.71
10	A"	974	974	29.08	1.25	0.75	0.86
11	A"	897	897	55.12	3.41	0.75	0.86
12	A"	736	736	5.03	0.49	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	1.182	-0.149
F3	-1.140	-0.270
H4	-0.182	1.499
H5	1.284	-1.225
H6	2.069	0.467

	C1	C2	F3	H4	H5	H6
C1		1.3162	1.3385	1.0830	2.0954	2.0688
C2	1.3162		2.3248	2.1386	1.0812	1.0799
F3	1.3385	2.3248		2.0117	2.6050	3.2922
H4	1.0830	2.1386	2.0117		3.0931	2.4757
H5	2.0954	1.0812	2.6050	3.0931		1.8655
H6	2.0688	1.0799	3.2922	2.4757	1.8655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.559	C1	C2	H6	119.081
C2	C1	F3	122.259	C2	C1	H4	125.816
F3	C1	H4	111.925	H5	C2	H6	119.359

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

using model chemistry: HSEh1PBE/daug-cc-pVTZ

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	0.012
2	C	-1.260
3	F	-0.754
4	H	0.864
5	H	0.601
6	H	0.538

	x	y	z	Total
	1.112	0.761	0.000	1.347
CHELPG
AIM
ESP

	x	y	z
x	5.143	-0.453	0.000
y	-0.453	4.043	0.000
z	0.000	0.000	3.279

<r²>	42.797
(<r²>)^1/2	6.542

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

using model chemistry: HSEh1PBE/daug-cc-pVTZ

States and conformations

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