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	hartrees
Energy at 0K	-176.957386
Energy at 298.15K
HF Energy	-176.957386
Nuclear repulsion energy	68.466321

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'	3404	3099	4.68	33.24	0.59	0.74
2	A'	3368	3067	4.08	92.11	0.31	0.47
3	A'	3309	3013	0.68	64.79	0.13	0.23
4	A'	1851	1685	133.76	70.26	0.04	0.08
5	A'	1537	1399	7.19	5.29	0.24	0.39
6	A'	1442	1313	3.62	23.64	0.30	0.46
7	A'	1276	1161	119.45	2.44	0.14	0.25
8	A'	1026	934	53.76	5.77	0.26	0.41
9	A'	528	480	5.05	1.49	0.59	0.74
10	A"	1081	985	20.44	4.17	0.75	0.86
11	A"	1026	934	76.59	5.36	0.75	0.86
12	A"	799	728	3.47	0.95	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.426
C2	1.169	-0.155
F3	-1.130	-0.259
H4	-0.168	1.484
H5	1.266	-1.223
H6	2.054	0.448

	C1	C2	F3	H4	H5	H6
C1		1.3059	1.3213	1.0713	2.0790	2.0539
C2	1.3059		2.3016	2.1157	1.0722	1.0707
F3	1.3213	2.3016		1.9908	2.5826	3.2613
H4	1.0713	2.1157	1.9908		3.0635	2.4514
H5	2.0790	1.0722	2.5826	3.0635		1.8477
H6	2.0539	1.0707	3.2613	2.4514	1.8477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.602	C1	C2	H6	119.261
C2	C1	F3	122.341	C2	C1	H4	125.456
F3	C1	H4	112.202	H5	C2	H6	119.137

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

using model chemistry: HF/aug-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	-0.206
2	C	-1.050
3	F	-0.393
4	H	0.756
5	H	0.475
6	H	0.418

	x	y	z	Total
	1.213	0.841	0.000	1.476
CHELPG
AIM
ESP

	x	y	z
x	4.871	-0.576	0.000
y	-0.576	3.804	0.000
z	0.000	0.000	3.166

<r²>	42.194
(<r²>)^1/2	6.496

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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