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	hartrees
Energy at 0K	-175.385711
Energy at 298.15K
HF Energy	-175.385711
Nuclear repulsion energy	66.469178

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'	3610	3610	1.40	29.04	0.74	0.85
2	A'	3455	3455	23.39	50.86	0.14	0.24
3	A'	3403	3403	12.42	22.79	0.52	0.69
4	A'	1875	1875	51.57	4.38	0.08	0.15
5	A'	1575	1575	2.71	6.16	0.74	0.85
6	A'	1420	1420	0.04	20.36	0.54	0.70
7	A'	1282	1282	24.18	2.36	0.18	0.31
8	A'	1031	1031	6.91	4.23	0.44	0.61
9	A'	492	492	1.56	1.30	0.65	0.79
10	A"	1058	1058	11.12	0.03	0.75	0.86
11	A"	935	935	29.49	0.46	0.75	0.86
12	A"	729	729	0.18	4.37	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.428
C2	1.207	-0.150
F3	-1.173	-0.269
H4	-0.128	1.529
H5	1.327	-1.236
H6	2.111	0.461

	C1	C2	F3	H4	H5	H6
C1		1.3389	1.3644	1.1081	2.1285	2.1116
C2	1.3389		2.3831	2.1457	1.0924	1.0912
F3	1.3644	2.3831		2.0793	2.6801	3.3642
H4	1.1081	2.1457	2.0793		3.1246	2.4813
H5	2.1285	1.0924	2.6801	3.1246		1.8696
H6	2.1116	1.0912	3.3642	2.4813	1.8696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.877	C1	C2	H6	120.335
C2	C1	F3	123.659	C2	C1	H4	122.251
F3	C1	H4	114.090	H5	C2	H6	117.788

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

using model chemistry: wB97X-D/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	0.024
2	C	-0.200
3	F	-0.070
4	H	0.080
5	H	0.082
6	H	0.083

	x	y	z	Total
	0.311	0.458	0.000	0.554
CHELPG
AIM
ESP

	x	y	z
x	2.907	-0.293	0.000
y	-0.293	1.855	0.000
z	0.000	0.000	0.400

<r²>	43.111
(<r²>)^1/2	6.566