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	hartrees
Energy at 0K	-177.781573
Energy at 298.15K
HF Energy	-177.781573
Nuclear repulsion energy	66.604290

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'	3189	3194	3.63	52.22	0.72	0.84
2	A'	3104	3109	10.69	165.10	0.21	0.35
3	A'	3083	3088	3.37	38.16	0.21	0.35
4	A'	1658	1661	91.90	14.66	0.07	0.14
5	A'	1353	1355	4.23	3.03	0.56	0.72
6	A'	1283	1286	1.28	19.42	0.59	0.75
7	A'	1127	1129	83.79	1.87	0.18	0.30
8	A'	905	906	35.25	5.20	0.41	0.58
9	A'	467	468	3.83	1.68	0.66	0.80
10	A"	929	931	26.50	0.42	0.75	0.86
11	A"	828	829	34.88	1.03	0.75	0.86
12	A"	706	707	1.33	7.35	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.436
C2	1.204	-0.147
F3	-1.161	-0.277
H4	-0.185	1.522
H5	1.308	-1.241
H6	2.106	0.478

	C1	C2	F3	H4	H5	H6
C1		1.3379	1.3627	1.1016	2.1268	2.1060
C2	1.3379		2.3686	2.1720	1.0983	1.0972
F3	1.3627	2.3686		2.0466	2.6507	3.3528
H4	1.1016	2.1720	2.0466		3.1407	2.5177
H5	2.1268	1.0983	2.6507	3.1407		1.8947
H6	2.1060	1.0972	3.3528	2.5177	1.8947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.302	C1	C2	H6	119.397
C2	C1	F3	122.583	C2	C1	H4	125.551
F3	C1	H4	111.866	H5	C2	H6	119.301

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

using model chemistry: BLYP/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	0.127
2	C	-0.007
3	F	-0.148
4	H	-0.005
5	H	0.015
6	H	0.018

	x	y	z	Total
	0.885	0.713	0.000	1.137
CHELPG
AIM
ESP

	x	y	z
x	4.673	-0.506	0.000
y	-0.506	3.539	0.000
z	0.000	0.000	1.675

<r²>	43.815
(<r²>)^1/2	6.619

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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