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	hartrees
Energy at 0K	-176.897030
Energy at 298.15K
HF Energy	-176.897030
Nuclear repulsion energy	68.115985

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'	3440	3110	5.74	32.69	0.58	0.74
2	A'	3413	3086	4.42	96.93	0.39	0.56
3	A'	3341	3021	0.43	69.32	0.21	0.35
4	A'	1865	1687	129.60	69.00	0.07	0.12
5	A'	1539	1391	8.01	5.75	0.36	0.53
6	A'	1443	1305	1.97	24.26	0.39	0.56
7	A'	1270	1148	129.28	2.92	0.17	0.29
8	A'	1021	923	58.00	5.90	0.37	0.54
9	A'	522	472	5.20	2.08	0.71	0.83
10	A"	1076	973	24.48	5.03	0.75	0.86
11	A"	1033	934	91.81	5.81	0.75	0.86
12	A"	791	715	2.84	2.27	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	1.176	-0.149
F3	-1.134	-0.269
H4	-0.184	1.487
H5	1.274	-1.218
H6	2.061	0.458

	C1	C2	F3	H4	H5	H6
C1		1.3109	1.3327	1.0722	2.0839	2.0609
C2	1.3109		2.3127	2.1273	1.0738	1.0729
F3	1.3327	2.3127		1.9969	2.5881	3.2763
H4	1.0722	2.1273	1.9969		3.0733	2.4696
H5	2.0839	1.0738	2.5881	3.0733		1.8513
H6	2.0609	1.0729	3.2763	2.4696	1.8513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.503	C1	C2	H6	119.327
C2	C1	F3	122.054	C2	C1	H4	126.130
F3	C1	H4	111.817	H5	C2	H6	119.171

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

using model chemistry: HF/6-31+G**

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	0.211
2	C	-0.327
3	F	-0.368
4	H	0.160
5	H	0.168
6	H	0.157

	x	y	z	Total
	1.376	0.983	0.000	1.691
CHELPG
AIM
ESP

	x	y	z
x	4.704	-0.728	0.000
y	-0.728	3.385	0.000
z	0.000	0.000	2.570

<r²>	42.552
(<r²>)^1/2	6.523

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

using model chemistry: HF/6-31+G**

States and conformations

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