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	hartrees
Energy at 0K	-177.896176
Energy at 298.15K
HF Energy	-177.896176
Nuclear repulsion energy	67.603680

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'	3255	3255	1.51	39.50	0.68	0.81
2	A'	3195	3195	5.21	113.71	0.24	0.38
3	A'	3161	3161	1.21	60.56	0.12	0.21
4	A'	1707	1707	111.13	40.43	0.04	0.07
5	A'	1415	1415	4.91	4.24	0.31	0.47
6	A'	1337	1337	2.04	17.26	0.38	0.55
7	A'	1168	1168	101.78	1.95	0.22	0.37
8	A'	939	939	47.32	4.91	0.32	0.48
9	A'	489	489	4.01	1.55	0.55	0.71
10	A"	969	969	29.89	1.33	0.75	0.86
11	A"	901	901	53.47	3.91	0.75	0.86
12	A"	732	732	4.80	0.39	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.185	-0.143
F3	-1.143	-0.277
H4	-0.192	1.498
H5	1.295	-1.217
H6	2.071	0.473

	C1	C2	F3	H4	H5	H6
C1		1.3173	1.3455	1.0816	2.0977	2.0711
C2	1.3173		2.3313	2.1412	1.0802	1.0791
F3	1.3455	2.3313		2.0137	2.6123	3.2999
H4	1.0816	2.1412	2.0137		3.0951	2.4833
H5	2.0977	1.0802	2.6123	3.0951		1.8603
H6	2.0711	1.0791	3.2999	2.4833	1.8603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.757	C1	C2	H6	119.268
C2	C1	F3	122.210	C2	C1	H4	126.118
F3	C1	H4	111.672	H5	C2	H6	118.974

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

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

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	0.286
2	C	-0.408
3	F	-0.353
4	H	0.155
5	H	0.158
6	H	0.161

	x	y	z	Total
	1.187	0.800	0.000	1.432
CHELPG
AIM
ESP

	x	y	z
x	5.124	-0.463	0.000
y	-0.463	3.920	0.000
z	0.000	0.000	3.193

<r²>	43.054
(<r²>)^1/2	6.562

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

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

States and conformations

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