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	hartrees
Energy at 0K	-175.365998
Energy at 298.15K
HF Energy	-175.365998
Nuclear repulsion energy	66.387391

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'	3591	3178	1.10	29.17	0.74	0.85
2	A'	3434	3039	23.33	49.74	0.13	0.24
3	A'	3380	2991	9.76	25.52	0.49	0.66
4	A'	1851	1638	51.64	3.71	0.10	0.18
5	A'	1562	1382	2.58	6.04	0.74	0.85
6	A'	1407	1245	0.11	19.59	0.54	0.70
7	A'	1275	1129	23.78	2.48	0.15	0.26
8	A'	1022	905	6.15	4.40	0.45	0.62
9	A'	486	430	1.34	1.27	0.65	0.79
10	A"	1043	923	12.42	0.01	0.75	0.86
11	A"	908	803	29.40	0.40	0.75	0.86
12	A"	723	640	0.33	4.21	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.427
C2	1.210	-0.154
F3	-1.175	-0.266
H4	-0.126	1.530
H5	1.329	-1.240
H6	2.115	0.458

	C1	C2	F3	H4	H5	H6
C1		1.3422	1.3644	1.1094	2.1327	2.1151
C2	1.3422		2.3878	2.1490	1.0932	1.0921
F3	1.3644	2.3878		2.0793	2.6876	3.3687
H4	1.1094	2.1490	2.0793		3.1289	2.4842
H5	2.1327	1.0932	2.6876	3.1289		1.8707
H6	2.1151	1.0921	3.3687	2.4842	1.8707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.927	C1	C2	H6	120.316
C2	C1	F3	123.821	C2	C1	H4	122.176
F3	C1	H4	114.003	H5	C2	H6	117.757

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

using model chemistry: B3PW91/STO-3G

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	0.015
2	C	-0.205
3	F	-0.061
4	H	0.081
5	H	0.084
6	H	0.086

	x	y	z	Total
	0.259	0.431	0.000	0.503
CHELPG
AIM
ESP

	x	y	z
x	2.905	-0.280	0.000
y	-0.280	1.853	0.000
z	0.000	0.000	0.406

<r²>	43.196
(<r²>)^1/2	6.572

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

using model chemistry: B3PW91/STO-3G

States and conformations

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