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	hartrees
Energy at 0K	-177.771503
Energy at 298.15K
HF Energy	-177.771503
Nuclear repulsion energy	67.095202

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'	3205	3205	9.88	45.49	0.71	0.83
2	A'	3136	3136	15.53	135.85	0.26	0.42
3	A'	3109	3109	3.79	49.54	0.20	0.33
4	A'	1673	1673	101.39	16.96	0.06	0.11
5	A'	1393	1393	4.24	3.40	0.48	0.65
6	A'	1311	1311	2.10	15.94	0.56	0.72
7	A'	1143	1143	95.28	1.55	0.27	0.42
8	A'	918	918	44.09	4.77	0.38	0.55
9	A'	477	477	3.87	2.00	0.67	0.80
10	A"	934	934	39.73	0.63	0.75	0.86
11	A"	823	823	50.63	1.82	0.75	0.86
12	A"	711	711	2.35	5.18	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.196	-0.145
F3	-1.153	-0.276
H4	-0.191	1.506
H5	1.307	-1.226
H6	2.090	0.473

	C1	C2	F3	H4	H5	H6
C1		1.3283	1.3539	1.0894	2.1123	2.0901
C2	1.3283		2.3531	2.1560	1.0873	1.0865
F3	1.3539	2.3531		2.0248	2.6375	3.3286
H4	1.0894	2.1560	2.0248		3.1158	2.5038
H5	2.1123	1.0873	2.6375	3.1158		1.8712
H6	2.0901	1.0865	3.3286	2.5038	1.8712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.636	C1	C2	H6	119.553
C2	C1	F3	122.632	C2	C1	H4	125.898
F3	C1	H4	111.470	H5	C2	H6	118.811

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

using model chemistry: B97D3/6-311G*

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	0.073
2	C	-0.481
3	F	-0.207
4	H	0.189
5	H	0.217
6	H	0.209

	x	y	z	Total
	1.043	0.809	0.000	1.320
CHELPG
AIM
ESP

	x	y	z
x	4.662	-0.525	0.000
y	-0.525	3.414	0.000
z	0.000	0.000	1.868

<r²>	43.353
(<r²>)^1/2	6.584

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

using model chemistry: B97D3/6-311G*

States and conformations

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