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	hartrees
Energy at 0K	-176.863446
Energy at 298.15K
HF Energy	-176.863446
Nuclear repulsion energy	66.917461

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'	3488	3139	16.13	27.46	0.32	0.49
2	A'	3465	3118	2.83	99.40	0.40	0.58
3	A'	3371	3033	0.01	77.36	0.15	0.26
4	A'	1842	1657	99.26	38.90	0.16	0.27
5	A'	1550	1395	4.79	11.10	0.49	0.66
6	A'	1436	1292	0.11	19.34	0.57	0.73
7	A'	1229	1106	90.91	3.91	0.30	0.46
8	A'	982	884	69.89	8.97	0.31	0.47
9	A'	503	452	5.76	3.31	0.70	0.82
10	A"	1103	993	56.18	12.11	0.75	0.86
11	A"	1082	973	82.52	1.81	0.75	0.86
12	A"	780	702	2.03	8.18	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.449
C2	1.197	-0.108
F3	-1.150	-0.320
H4	-0.231	1.493
H5	1.323	-1.172
H6	2.072	0.510

	C1	C2	F3	H4	H5	H6
C1		1.3200	1.3828	1.0692	2.0925	2.0731
C2	1.3200		2.3560	2.1450	1.0717	1.0713
F3	1.3828	2.3560		2.0318	2.6157	3.3269
H4	1.0692	2.1450	2.0318		3.0851	2.5043
H5	2.0925	1.0717	2.6157	3.0851		1.8411
H6	2.0731	1.0713	3.3269	2.5043	1.8411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.723	C1	C2	H6	119.842
C2	C1	F3	121.294	C2	C1	H4	127.433
F3	C1	H4	111.273	H5	C2	H6	118.435

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

using model chemistry: HF/LANL2DZ

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	0.162
2	C	-0.440
3	F	-0.354
4	H	0.208
5	H	0.221
6	H	0.204

	x	y	z	Total
	2.016	1.319	0.000	2.409
CHELPG
AIM
ESP

	x	y	z
x	4.493	-0.697	0.000
y	-0.697	2.871	0.000
z	0.000	0.000	1.345

<r²>	43.692
(<r²>)^1/2	6.610

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

using model chemistry: HF/LANL2DZ

States and conformations

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