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	hartrees
Energy at 0K	-177.777367
Energy at 298.15K
HF Energy	-177.777367
Nuclear repulsion energy	67.879681

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'	3297	3297	2.20	40.97	0.71	0.83
2	A'	3217	3217	9.29	124.80	0.21	0.35
3	A'	3192	3192	2.92	30.08	0.19	0.32
4	A'	1757	1757	106.57	16.45	0.09	0.17
5	A'	1429	1429	4.39	2.52	0.58	0.74
6	A'	1354	1354	3.33	17.55	0.55	0.71
7	A'	1209	1209	92.29	2.98	0.08	0.15
8	A'	961	961	27.17	4.50	0.34	0.51
9	A'	490	490	3.77	1.32	0.62	0.76
10	A"	998	998	19.58	0.66	0.75	0.86
11	A"	900	900	51.13	1.13	0.75	0.86
12	A"	749	749	1.40	5.78	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.425
C2	1.181	-0.162
F3	-1.142	-0.253
H4	-0.163	1.498
H5	1.279	-1.240
H6	2.076	0.446

	C1	C2	F3	H4	H5	H6
C1		1.3188	1.3282	1.0857	2.0994	2.0759
C2	1.3188		2.3252	2.1358	1.0828	1.0816
F3	1.3282	2.3252		2.0066	2.6145	3.2931
H4	1.0857	2.1358	2.0066		3.0946	2.4734
H5	2.0994	1.0828	2.6145	3.0946		1.8652
H6	2.0759	1.0816	3.2931	2.4734	1.8652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.576	C1	C2	H6	119.397
C2	C1	F3	122.906	C2	C1	H4	125.023
F3	C1	H4	112.071	H5	C2	H6	119.027

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	0.098
2	C	-0.430
3	F	-0.111
4	H	0.136
5	H	0.154
6	H	0.153

	x	y	z	Total
	0.919	0.732	0.000	1.175
CHELPG
AIM
ESP

	x	y	z
x	4.521	-0.518	0.000
y	-0.518	3.457	0.000
z	0.000	0.000	1.917

<r²>	42.398
(<r²>)^1/2	6.511

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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