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	hartrees
Energy at 0K	-177.648698
Energy at 298.15K
HF Energy	-177.505646
Nuclear repulsion energy	67.353080

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'	3324	3154	3.55	41.07	0.72	0.83
2	A'	3259	3091	11.45	111.45	0.24	0.39
3	A'	3227	3062	1.13	48.18	0.16	0.27
4	A'	1745	1656	90.51	11.20	0.08	0.16
5	A'	1456	1381	5.27	3.42	0.54	0.70
6	A'	1361	1291	1.42	17.84	0.56	0.72
7	A'	1198	1136	87.91	2.49	0.14	0.25
8	A'	958	909	32.24	4.86	0.39	0.56
9	A'	485	461	4.00	1.52	0.66	0.79
10	A"	982	932	28.75	0.51	0.75	0.86
11	A"	873	828	49.77	0.94	0.75	0.86
12	A"	738	700	0.33	9.12	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	1.190	-0.148
F3	-1.148	-0.273
H4	-0.182	1.503
H5	1.292	-1.226
H6	2.083	0.462

	C1	C2	F3	H4	H5	H6
C1		1.3253	1.3486	1.0837	2.1036	2.0836
C2	1.3253		2.3421	2.1468	1.0823	1.0814
F3	1.3486	2.3421		2.0215	2.6199	3.3142
H4	1.0837	2.1468	2.0215		3.1011	2.4931
H5	2.1036	1.0823	2.6199	3.1011		1.8636
H6	2.0836	1.0814	3.3142	2.4931	1.8636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.469	C1	C2	H6	119.596
C2	C1	F3	122.301	C2	C1	H4	125.742
F3	C1	H4	111.958	H5	C2	H6	118.935

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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	0.197
2	C	-0.401
3	F	-0.286
4	H	0.153
5	H	0.172
6	H	0.166

	x	y	z	Total
	1.043	0.798	0.000	1.314
CHELPG
AIM
ESP

	x	y	z
x	4.331	-0.495	-0.000
y	-0.495	3.215	0.000
z	-0.000	0.000	1.443

<r²>	42.936
(<r²>)^1/2	6.553

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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