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	hartrees
Energy at 0K	-177.852620
Energy at 298.15K
HF Energy	-177.852620
Nuclear repulsion energy	67.850510

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'	3283	3283	1.41	39.18	0.69	0.81
2	A'	3215	3215	6.60	118.43	0.22	0.36
3	A'	3182	3182	1.35	57.81	0.12	0.22
4	A'	1737	1737	115.26	31.71	0.06	0.11
5	A'	1421	1421	4.91	3.50	0.49	0.65
6	A'	1345	1345	2.03	15.82	0.44	0.61
7	A'	1189	1189	106.76	1.98	0.11	0.19
8	A'	952	952	41.03	4.46	0.35	0.52
9	A'	496	496	4.01	1.66	0.59	0.74
10	A"	985	985	23.98	1.48	0.75	0.86
11	A"	912	912	60.13	2.57	0.75	0.86
12	A"	743	743	3.86	1.39	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.180	-0.149
F3	-1.139	-0.270
H4	-0.180	1.497
H5	1.282	-1.224
H6	2.066	0.467

	C1	C2	F3	H4	H5	H6
C1		1.3146	1.3367	1.0817	2.0925	2.0663
C2	1.3146		2.3226	2.1348	1.0798	1.0785
F3	1.3367	2.3226		2.0098	2.6025	3.2886
H4	1.0817	2.1348	2.0098		3.0883	2.4707
H5	2.0925	1.0798	2.6025	3.0883		1.8634
H6	2.0663	1.0785	3.2886	2.4707	1.8634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.520	C1	C2	H6	119.085
C2	C1	F3	122.335	C2	C1	H4	125.684
F3	C1	H4	111.981	H5	C2	H6	119.395

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

using model chemistry: wB97X-D/cc-pVQZ

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	0.215
2	C	-0.156
3	F	-0.238
4	H	0.055
5	H	0.066
6	H	0.058

	x	y	z	Total
	1.084	0.787	0.000	1.340
CHELPG
AIM
ESP

	x	y	z
x	4.948	-0.501	0.000
y	-0.501	3.783	0.000
z	0.000	0.000	2.761

<r²>	42.621
(<r²>)^1/2	6.529

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

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