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	hartrees
Energy at 0K	-177.765406
Energy at 298.15K
HF Energy	-177.765406
Nuclear repulsion energy	67.342946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3178	1.00
2	A'	3210	3098	9.21
3	A'	3180	3069	1.51
4	A'	1735	1675	105.98
5	A'	1390	1341	5.19
6	A'	1319	1273	1.76
7	A'	1181	1140	103.28
8	A'	940	907	30.73
9	A'	480	463	3.96
10	A"	969	935	25.59
11	A"	870	839	49.11
12	A"	733	708	1.55

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.190	-0.156
F3	-1.149	-0.264
H4	-0.173	1.510
H5	1.285	-1.243
H6	2.089	0.461

	C1	C2	F3	H4	H5	H6
C1		1.3264	1.3424	1.0939	2.1097	2.0890
C2	1.3264		2.3415	2.1525	1.0913	1.0900
F3	1.3424	2.3415		2.0252	2.6235	3.3179
H4	1.0939	2.1525	2.0252		3.1154	2.4932
H5	2.1097	1.0913	2.6235	3.1154		1.8838
H6	2.0890	1.0900	3.3179	2.4932	1.8838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.218	C1	C2	H6	119.325
C2	C1	F3	122.640	C2	C1	H4	125.311
F3	C1	H4	112.049	H5	C2	H6	119.457

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

using model chemistry: B3PW91/cc-pVDZ

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	0.126
2	C	-0.108
3	F	-0.174
4	H	0.036
5	H	0.060
6	H	0.060

	x	y	z	Total
	0.971	0.770	0.000	1.240
CHELPG
AIM
ESP

	x	y	z
x	4.504	-0.549	0.000
y	-0.549	3.388	0.000
z	0.000	0.000	1.668

<r²>	42.987
(<r²>)^1/2	6.556

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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