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	hartrees
Energy at 0K	-177.581100
Energy at 298.15K	-177.576814
HF Energy	-176.877519
Nuclear repulsion energy	68.201227

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'	3441	3441	7.82	36.92	0.62	0.77
2	A'	3405	3405	9.74	101.92	0.32	0.48
3	A'	3344	3344	0.61	59.97	0.16	0.27
4	A'	1889	1889	115.17	28.49	0.13	0.23
5	A'	1546	1546	6.82	4.10	0.50	0.66
6	A'	1448	1448	1.65	21.74	0.52	0.68
7	A'	1276	1276	117.93	2.22	0.14	0.25
8	A'	1025	1025	51.14	5.27	0.36	0.53
9	A'	520	520	5.71	1.65	0.69	0.82
10	A"	1089	1089	19.90	2.17	0.75	0.86
11	A"	1011	1011	65.01	2.89	0.75	0.86
12	A"	801	801	0.14	8.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.425
C2	1.175	-0.155
F3	-1.135	-0.259
H4	-0.173	1.487
H5	1.272	-1.227
H6	2.066	0.447

	C1	C2	F3	H4	H5	H6
C1		1.3107	1.3257	1.0755	2.0854	2.0663
C2	1.3107		2.3129	2.1242	1.0766	1.0753
F3	1.3257	2.3129		1.9938	2.5948	3.2785
H4	1.0755	2.1242	1.9938		3.0746	2.4685
H5	2.0854	1.0766	2.5948	3.0746		1.8531
H6	2.0663	1.0753	3.2785	2.4685	1.8531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.438	C1	C2	H6	119.671
C2	C1	F3	122.637	C2	C1	H4	125.518
F3	C1	H4	111.845	H5	C2	H6	118.891

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

using model chemistry: CBS-Q

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

using model chemistry: CBS-Q

States and conformations

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