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	hartrees
Energy at 0K	-175.450958
Energy at 298.15K
HF Energy	-175.450958
Nuclear repulsion energy	66.195245

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'	3572	3572	0.43	30.47	0.75	0.85
2	A'	3418	3418	21.05	50.63	0.13	0.23
3	A'	3357	3357	7.48	29.14	0.47	0.64
4	A'	1832	1832	49.82	3.61	0.13	0.23
5	A'	1566	1566	3.59	6.55	0.74	0.85
6	A'	1404	1404	0.22	19.64	0.54	0.70
7	A'	1266	1266	21.34	2.61	0.16	0.27
8	A'	1017	1017	6.13	4.79	0.44	0.61
9	A'	479	479	1.33	1.28	0.65	0.79
10	A"	1035	1035	12.91	0.00	0.75	0.86
11	A"	878	878	26.01	0.31	0.75	0.86
12	A"	714	714	0.20	4.34	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.429
C2	1.214	-0.154
F3	-1.179	-0.266
H4	-0.128	1.532
H5	1.336	-1.242
H6	2.120	0.460

	C1	C2	F3	H4	H5	H6
C1		1.3465	1.3686	1.1112	2.1392	2.1200
C2	1.3465		2.3957	2.1552	1.0950	1.0941
F3	1.3686	2.3957		2.0831	2.6977	3.3778
H4	1.1112	2.1552	2.0831		3.1371	2.4908
H5	2.1392	1.0950	2.6977	3.1371		1.8736
H6	2.1200	1.0941	3.3778	2.4908	1.8736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.029	C1	C2	H6	120.257
C2	C1	F3	123.857	C2	C1	H4	122.256
F3	C1	H4	113.887	H5	C2	H6	117.714

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

using model chemistry: TPSSh/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	0.019
2	C	-0.187
3	F	-0.054
4	H	0.072
5	H	0.074
6	H	0.076

	x	y	z	Total
	0.173	0.399	0.000	0.434
CHELPG
AIM
ESP

	x	y	z
x	2.943	-0.273	0.000
y	-0.273	1.884	0.000
z	0.000	0.000	0.408

<r²>	43.439
(<r²>)^1/2	6.591

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

using model chemistry: TPSSh/STO-3G

States and conformations

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