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	hartrees
Energy at 0K	-176.857091
Energy at 298.15K
HF Energy	-176.857091
Nuclear repulsion energy	66.596207

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'	3279	3167	5.20	39.47	0.71	0.83
2	A'	3208	3098	12.82	127.93	0.23	0.37
3	A'	3185	3076	3.21	32.94	0.22	0.36
4	A'	1720	1661	74.44	10.84	0.10	0.17
5	A'	1481	1431	3.33	4.53	0.54	0.70
6	A'	1380	1333	1.24	17.27	0.62	0.76
7	A'	1185	1144	53.82	2.81	0.19	0.32
8	A'	956	923	24.70	5.43	0.37	0.54
9	A'	472	456	3.26	1.92	0.68	0.81
10	A"	1011	976	33.66	0.87	0.75	0.86
11	A"	925	894	79.87	1.76	0.75	0.86
12	A"	738	713	0.96	10.32	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.207	-0.115
F3	-1.165	-0.304
H4	-0.184	1.502
H5	1.344	-1.190
H6	2.085	0.520

	C1	C2	F3	H4	H5	H6
C1		1.3260	1.3791	1.0842	2.1071	2.0867
C2	1.3260		2.3803	2.1328	1.0835	1.0832
F3	1.3791	2.3803		2.0555	2.6608	3.3531
H4	1.0842	2.1328	2.0555		3.0948	2.4719
H5	2.1071	1.0835	2.6608	3.0948		1.8636
H6	2.0867	1.0832	3.3531	2.4719	1.8636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.649	C1	C2	H6	119.686
C2	C1	F3	123.253	C2	C1	H4	124.181
F3	C1	H4	112.566	H5	C2	H6	118.665

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

using model chemistry: TPSSh/3-21G*

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	0.093
2	C	-0.486
3	F	-0.273
4	H	0.218
5	H	0.229
6	H	0.219

	x	y	z	Total
	1.092	0.829	0.000	1.371
CHELPG
AIM
ESP

	x	y	z
x	4.243	-0.434	0.000
y	-0.434	2.984	0.000
z	0.000	0.000	0.989

<r²>	43.793
(<r²>)^1/2	6.618

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

using model chemistry: TPSSh/3-21G*

States and conformations

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