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	hartrees
Energy at 0K	-177.739213
Energy at 298.15K
HF Energy	-177.739213
Nuclear repulsion energy	66.822831

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'	3232	3176	4.09	44.47	0.72	0.84
2	A'	3169	3114	9.76	125.98	0.27	0.42
3	A'	3133	3079	0.93	65.99	0.17	0.29
4	A'	1667	1638	109.08	37.19	0.04	0.08
5	A'	1383	1359	5.53	5.28	0.38	0.56
6	A'	1305	1283	1.38	16.77	0.46	0.63
7	A'	1130	1111	107.91	2.66	0.23	0.37
8	A'	907	892	49.01	5.50	0.43	0.60
9	A'	473	465	3.48	2.17	0.67	0.81
10	A"	926	910	46.89	0.97	0.75	0.86
11	A"	841	827	51.34	4.41	0.75	0.86
12	A"	702	690	4.71	1.18	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.440
C2	1.200	-0.141
F3	-1.155	-0.285
H4	-0.204	1.511
H5	1.314	-1.223
H6	2.090	0.484

	C1	C2	F3	H4	H5	H6
C1		1.3330	1.3642	1.0893	2.1195	2.0901
C2	1.3330		2.3591	2.1673	1.0878	1.0875
F3	1.3642	2.3591		2.0322	2.6408	3.3347
H4	1.0893	2.1673	2.0322		3.1264	2.5130
H5	2.1195	1.0878	2.6408	3.1264		1.8748
H6	2.0901	1.0875	3.3347	2.5130	1.8748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.882	C1	C2	H6	119.076
C2	C1	F3	122.000	C2	C1	H4	126.651
F3	C1	H4	111.349	H5	C2	H6	119.042

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

using model chemistry: B97D3/6-31+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	0.117
2	C	-0.312
3	F	-0.274
4	H	0.148
5	H	0.165
6	H	0.155

	x	y	z	Total
	1.243	0.872	0.000	1.518
CHELPG
AIM
ESP

	x	y	z
x	5.129	-0.558	0.000
y	-0.558	3.680	0.000
z	0.000	0.000	2.774

<r²>	43.767
(<r²>)^1/2	6.616

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

using model chemistry: B97D3/6-31+G**

States and conformations

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