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	hartrees
Energy at 0K	-177.678315
Energy at 298.15K
HF Energy	-177.678315
Nuclear repulsion energy	67.692255

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'	3288	3155	1.76	42.32	0.71	0.83
2	A'	3217	3086	9.10	123.37	0.26	0.41
3	A'	3185	3056	1.42	51.60	0.18	0.31
4	A'	1738	1667	110.97	21.49	0.07	0.14
5	A'	1408	1351	4.89	2.84	0.54	0.71
6	A'	1332	1278	2.38	15.73	0.57	0.72
7	A'	1189	1140	110.80	1.79	0.18	0.30
8	A'	947	909	33.25	4.26	0.40	0.57
9	A'	485	465	4.06	1.83	0.67	0.81
10	A"	979	939	31.82	1.21	0.75	0.86
11	A"	887	851	60.20	2.07	0.75	0.86
12	A"	740	710	2.25	4.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.184	-0.152
F3	-1.142	-0.267
H4	-0.177	1.501
H5	1.279	-1.230
H6	2.076	0.460

	C1	C2	F3	H4	H5	H6
C1		1.3189	1.3381	1.0852	2.0960	2.0765
C2	1.3189		2.3287	2.1406	1.0831	1.0819
F3	1.3381	2.3287		2.0140	2.6057	3.2995
H4	1.0852	2.1406	2.0140		3.0951	2.4823
H5	2.0960	1.0831	2.6057	3.0951		1.8689
H6	2.0765	1.0819	3.2995	2.4823	1.8689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.215	C1	C2	H6	119.419
C2	C1	F3	122.427	C2	C1	H4	125.573
F3	C1	H4	112.000	H5	C2	H6	119.365

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

using model chemistry: PBE1PBE/6-311G**

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	0.124
2	C	-0.308
3	F	-0.210
4	H	0.117
5	H	0.142
6	H	0.135

	x	y	z	Total
	1.070	0.829	0.000	1.353
CHELPG
AIM
ESP

	x	y	z
x	4.536	-0.563	0.000
y	-0.563	3.360	0.000
z	0.000	0.000	1.908

<r²>	42.727
(<r²>)^1/2	6.537

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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