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	hartrees
Energy at 0K	-177.767543
Energy at 298.15K
HF Energy	-177.767543
Nuclear repulsion energy	67.557818

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'	3315	3186	1.00	46.72	0.72	0.84
2	A'	3231	3106	9.07	134.62	0.23	0.37
3	A'	3200	3076	1.60	49.51	0.16	0.27
4	A'	1756	1688	107.52	19.46	0.09	0.17
5	A'	1394	1340	5.83	2.27	0.61	0.76
6	A'	1323	1272	1.68	17.93	0.59	0.74
7	A'	1191	1145	106.03	2.04	0.12	0.21
8	A'	946	909	29.47	4.48	0.43	0.60
9	A'	479	460	4.10	1.54	0.67	0.80
10	A"	977	939	23.37	0.90	0.75	0.86
11	A"	879	844	48.87	1.70	0.75	0.86
12	A"	738	710	1.30	6.42	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.429
C2	1.186	-0.155
F3	-1.145	-0.263
H4	-0.173	1.507
H5	1.278	-1.240
H6	2.083	0.460

	C1	C2	F3	H4	H5	H6
C1		1.3222	1.3382	1.0909	2.1022	2.0827
C2	1.3222		2.3332	2.1467	1.0884	1.0871
F3	1.3382	2.3332		2.0193	2.6120	3.3073
H4	1.0909	2.1467	2.0193		3.1060	2.4866
H5	2.1022	1.0884	2.6120	3.1060		1.8802
H6	2.0827	1.0871	3.3073	2.4866	1.8802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.093	C1	C2	H6	119.316
C2	C1	F3	122.568	C2	C1	H4	125.365
F3	C1	H4	112.067	H5	C2	H6	119.591

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

using model chemistry: B1B95/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	0.135
2	C	-0.078
3	F	-0.178
4	H	0.025
5	H	0.049
6	H	0.048

	x	y	z	Total
	0.989	0.779	0.000	1.259
CHELPG
AIM
ESP

	x	y	z
x	4.455	-0.545	0.000
y	-0.545	3.375	0.000
z	0.000	0.000	1.660

<r²>	42.769
(<r²>)^1/2	6.540

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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