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	hartrees
Energy at 0K	-177.760225
Energy at 298.15K
HF Energy	-177.760225
Nuclear repulsion energy	67.536079

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'	3314	3314	0.36	48.61	0.71	0.83
2	A'	3230	3230	7.18	138.18	0.23	0.38
3	A'	3200	3200	2.00	49.15	0.16	0.28
4	A'	1768	1768	105.82	20.39	0.10	0.18
5	A'	1396	1396	6.69	2.13	0.63	0.77
6	A'	1322	1322	1.48	18.07	0.59	0.74
7	A'	1203	1203	107.54	2.02	0.12	0.22
8	A'	951	951	27.15	4.26	0.44	0.61
9	A'	479	479	4.36	1.51	0.67	0.80
10	A"	987	987	21.97	0.99	0.75	0.86
11	A"	900	900	55.67	1.53	0.75	0.86
12	A"	742	742	1.29	6.45	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.432
C2	1.185	-0.156
F3	-1.143	-0.264
H4	-0.173	1.511
H5	1.266	-1.243
H6	2.086	0.454

	C1	C2	F3	H4	H5	H6
C1		1.3232	1.3390	1.0919	2.0997	2.0864
C2	1.3232		2.3310	2.1500	1.0898	1.0880
F3	1.3390	2.3310		2.0227	2.6002	3.3085
H4	1.0919	2.1500	2.0227		3.1067	2.4945
H5	2.0997	1.0898	2.6002	3.1067		1.8845
H6	2.0864	1.0880	3.3085	2.4945	1.8845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.648	C1	C2	H6	119.513
C2	C1	F3	122.229	C2	C1	H4	125.537
F3	C1	H4	112.233	H5	C2	H6	119.839

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

using model chemistry: M06-2X/cc-pVDZ

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	0.137
2	C	-0.092
3	F	-0.189
4	H	0.032
5	H	0.056
6	H	0.056

	x	y	z	Total
	1.037	0.819	0.000	1.322
CHELPG
AIM
ESP

	x	y	z
x	4.410	-0.562	0.000
y	-0.562	3.377	0.000
z	0.000	0.000	1.654

<r²>	42.804
(<r²>)^1/2	6.542

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

using model chemistry: M06-2X/cc-pVDZ

States and conformations

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