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	hartrees
Energy at 0K	-177.898238
Energy at 298.15K
HF Energy	-177.898238
Nuclear repulsion energy	67.590475

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'	3258	3150	2.33	42.29	0.69	0.82
2	A'	3192	3086	7.73	125.10	0.24	0.39
3	A'	3163	3058	1.06	59.10	0.15	0.25
4	A'	1713	1656	104.73	22.97	0.06	0.12
5	A'	1418	1370	4.61	3.89	0.49	0.65
6	A'	1337	1293	1.69	15.81	0.50	0.67
7	A'	1173	1134	97.10	1.59	0.17	0.29
8	A'	941	910	41.60	4.59	0.36	0.53
9	A'	488	472	4.07	1.74	0.62	0.77
10	A"	969	937	28.78	1.14	0.75	0.86
11	A"	896	866	51.74	2.12	0.75	0.86
12	A"	734	709	3.14	2.83	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.432
C2	1.186	-0.142
F3	-1.144	-0.277
H4	-0.187	1.498
H5	1.293	-1.217
H6	2.072	0.474

	C1	C2	F3	H4	H5	H6
C1		1.3174	1.3456	1.0819	2.0955	2.0722
C2	1.3174		2.3332	2.1385	1.0802	1.0791
F3	1.3456	2.3332		2.0161	2.6116	3.3019
H4	1.0819	2.1385	2.0161		3.0919	2.4801
H5	2.0955	1.0802	2.6116	3.0919		1.8614
H6	2.0722	1.0791	3.3019	2.4801	1.8614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.542	C1	C2	H6	119.366
C2	C1	F3	122.359	C2	C1	H4	125.794
F3	C1	H4	111.846	H5	C2	H6	119.092

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

using model chemistry: B3LYP/cc-pVTZ

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	0.132
2	C	-0.294
3	F	-0.186
4	H	0.096
5	H	0.129
6	H	0.124

	x	y	z	Total
	1.088	0.800	0.000	1.350
CHELPG
AIM
ESP	1.088	0.767	0.000	1.331

	x	y	z
x	4.830	-0.512	0.000
y	-0.512	3.642	0.000
z	0.000	0.000	2.357

<r²>	42.950
(<r²>)^1/2	6.554

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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