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	hartrees
Energy at 0K	-177.778232
Energy at 298.15K
HF Energy	-177.778232
Nuclear repulsion energy	67.617472

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'	3319	3158	2.32	42.47	0.72	0.84
2	A'	3240	3083	10.60	124.84	0.22	0.36
3	A'	3214	3058	1.99	39.48	0.17	0.30
4	A'	1761	1676	101.53	14.84	0.10	0.18
5	A'	1433	1363	5.10	2.68	0.58	0.73
6	A'	1349	1284	2.32	18.40	0.57	0.72
7	A'	1208	1150	98.21	2.86	0.11	0.19
8	A'	957	911	26.50	4.74	0.41	0.59
9	A'	486	462	3.69	1.46	0.67	0.80
10	A"	986	939	25.43	0.71	0.75	0.86
11	A"	884	841	57.56	1.21	0.75	0.86
12	A"	741	706	0.82	8.58	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.186	-0.154
F3	-1.145	-0.265
H4	-0.173	1.501
H5	1.282	-1.232
H6	2.079	0.455

	C1	C2	F3	H4	H5	H6
C1		1.3217	1.3390	1.0849	2.0995	2.0794
C2	1.3217		2.3328	2.1413	1.0824	1.0814
F3	1.3390	2.3328		2.0155	2.6128	3.3031
H4	1.0849	2.1413	2.0155		3.0967	2.4833
H5	2.0995	1.0824	2.6128	3.0967		1.8658
H6	2.0794	1.0814	3.3031	2.4833	1.8658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.370	C1	C2	H6	119.493
C2	C1	F3	122.505	C2	C1	H4	125.408
F3	C1	H4	112.087	H5	C2	H6	119.137

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

using model chemistry: mPW1PW91/6-31G**

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	0.209
2	C	-0.353
3	F	-0.277
4	H	0.128
5	H	0.150
6	H	0.143

	x	y	z	Total
	0.980	0.770	0.000	1.247
CHELPG
AIM
ESP

	x	y	z
x	4.387	-0.532	0.000
y	-0.532	3.269	0.000
z	0.000	0.000	1.509

<r²>	42.592
(<r²>)^1/2	6.526

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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