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	hartrees
Energy at 0K	-177.813204
Energy at 298.15K
HF Energy	-177.813204
Nuclear repulsion energy	67.225688

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'	3209	3209	3.28	42.64	0.70	0.83
2	A'	3139	3139	7.84	133.86	0.21	0.34
3	A'	3113	3113	1.37	60.82	0.11	0.20
4	A'	1658	1658	108.30	40.07	0.02	0.05
5	A'	1384	1384	4.85	5.38	0.23	0.38
6	A'	1308	1308	2.17	16.92	0.35	0.52
7	A'	1133	1133	96.20	2.18	0.24	0.39
8	A'	912	912	50.12	5.33	0.30	0.46
9	A'	479	479	3.62	1.49	0.53	0.69
10	A"	935	935	35.12	0.82	0.75	0.86
11	A"	854	854	44.56	3.57	0.75	0.86
12	A"	711	711	5.20	0.41	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.435
C2	1.192	-0.142
F3	-1.149	-0.280
H4	-0.194	1.504
H5	1.307	-1.220
H6	2.078	0.481

	C1	C2	F3	H4	H5	H6
C1		1.3246	1.3540	1.0862	2.1092	2.0789
C2	1.3246		2.3456	2.1518	1.0840	1.0833
F3	1.3540	2.3456		2.0243	2.6301	3.3163
H4	1.0862	2.1518	2.0243		3.1102	2.4919
H5	2.1092	1.0840	2.6301	3.1102		1.8675
H6	2.0789	1.0833	3.3163	2.4919	1.8675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.932	C1	C2	H6	119.059
C2	C1	F3	122.246	C2	C1	H4	126.112
F3	C1	H4	111.642	H5	C2	H6	119.010

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

using model chemistry: B97D3/aug-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	-0.016
2	C	-0.867
3	F	-0.497
4	H	0.593
5	H	0.459
6	H	0.328

	x	y	z	Total
	1.097	0.744	0.000	1.325
CHELPG
AIM
ESP

	x	y	z
x	5.356	-0.431	0.000
y	-0.431	4.181	0.000
z	0.000	0.000	3.397

<r²>	43.361
(<r²>)^1/2	6.585

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

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

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