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	hartrees
Energy at 0K	-177.693597
Energy at 298.15K
HF Energy	-177.693597
Nuclear repulsion energy	67.037672

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'	3201	3164	1.40	42.94	0.71	0.83
2	A'	3124	3088	8.18	146.95	0.22	0.36
3	A'	3103	3067	2.07	46.75	0.19	0.32
4	A'	1660	1641	106.97	23.18	0.04	0.08
5	A'	1365	1350	3.78	3.75	0.41	0.58
6	A'	1297	1282	2.13	15.48	0.54	0.70
7	A'	1132	1119	106.71	2.11	0.22	0.36
8	A'	906	895	38.75	4.90	0.38	0.55
9	A'	474	469	3.32	2.27	0.67	0.81
10	A"	928	917	40.79	0.90	0.75	0.86
11	A"	832	823	50.81	1.25	0.75	0.86
12	A"	705	697	4.19	2.30	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.436
C2	1.195	-0.142
F3	-1.152	-0.281
H4	-0.196	1.510
H5	1.308	-1.226
H6	2.088	0.482

	C1	C2	F3	H4	H5	H6
C1		1.3274	1.3569	1.0922	2.1148	2.0880
C2	1.3274		2.3515	2.1597	1.0896	1.0887
F3	1.3569	2.3515		2.0306	2.6358	3.3283
H4	1.0922	2.1597	2.0306		3.1221	2.5042
H5	2.1148	1.0896	2.6358	3.1221		1.8768
H6	2.0880	1.0887	3.3283	2.5042	1.8768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.765	C1	C2	H6	119.253
C2	C1	F3	122.324	C2	C1	H4	126.118
F3	C1	H4	111.558	H5	C2	H6	118.982

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

using model chemistry: PBEPBEultrafine/TZVP

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	0.059
2	C	-0.267
3	F	-0.163
4	H	0.104
5	H	0.136
6	H	0.131

	x	y	z	Total
	1.141	0.822	0.000	1.406
CHELPG
AIM
ESP

	x	y	z
x	4.996	-0.538	0.000
y	-0.538	3.627	0.000
z	0.000	0.000	2.459

<r²>	43.567
(<r²>)^1/2	6.601

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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