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	hartrees
Energy at 0K	-177.840851
Energy at 298.15K
HF Energy	-177.840851
Nuclear repulsion energy	67.807034

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'	3285	3285	1.50	39.08	0.68	0.81
2	A'	3218	3218	5.63	115.84	0.21	0.35
3	A'	3184	3184	1.37	60.31	0.10	0.19
4	A'	1736	1736	118.72	46.75	0.03	0.05
5	A'	1421	1421	5.43	4.39	0.28	0.43
6	A'	1343	1343	1.74	17.18	0.35	0.52
7	A'	1189	1189	108.49	2.37	0.16	0.28
8	A'	952	952	42.62	4.77	0.29	0.44
9	A'	494	494	4.01	1.39	0.54	0.70
10	A"	984	984	26.05	1.53	0.75	0.86
11	A"	914	914	59.74	3.58	0.75	0.86
12	A"	741	741	4.99	0.48	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	1.181	-0.148
F3	-1.139	-0.271
H4	-0.182	1.497
H5	1.284	-1.223
H6	2.066	0.469

	C1	C2	F3	H4	H5	H6
C1		1.3151	1.3384	1.0818	2.0934	2.0666
C2	1.3151		2.3236	2.1362	1.0801	1.0787
F3	1.3384	2.3236		2.0112	2.6029	3.2899
H4	1.0818	2.1362	2.0112		3.0898	2.4724
H5	2.0934	1.0801	2.6029	3.0898		1.8639
H6	2.0666	1.0787	3.2899	2.4724	1.8639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.547	C1	C2	H6	119.057
C2	C1	F3	122.248	C2	C1	H4	125.785
F3	C1	H4	111.966	H5	C2	H6	119.396

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

using model chemistry: wB97X-D/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	0.100
2	C	-1.641
3	F	-0.829
4	H	0.936
5	H	0.743
6	H	0.691

	x	y	z	Total
	1.117	0.769	0.000	1.356
CHELPG
AIM
ESP

	x	y	z
x	5.134	-0.457	0.000
y	-0.457	4.032	0.000
z	0.000	0.000	3.298

<r²>	42.708
(<r²>)^1/2	6.535

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

using model chemistry: wB97X-D/daug-cc-pVTZ

States and conformations

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