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	hartrees
Energy at 0K	-177.682165
Energy at 298.15K
HF Energy	-176.968523
Nuclear repulsion energy	67.807311

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'	3338	3193	0.15	34.35	0.70	0.82
2	A'	3267	3124	4.30	105.74	0.19	0.32
3	A'	3225	3085	1.90	69.57	0.08	0.15
4	A'	1717	1642	106.77	30.48	0.02	0.03
5	A'	1422	1360	5.43	3.74	0.28	0.44
6	A'	1344	1286	2.52	14.50	0.36	0.53
7	A'	1184	1132	98.56	2.33	0.15	0.27
8	A'	946	905	36.48	4.13	0.27	0.43
9	A'	486	464	4.12	1.26	0.52	0.68
10	A"	982	940	32.89	0.70	0.75	0.86
11	A"	895	856	46.31	2.88	0.75	0.86
12	A"	744	711	4.01	0.35	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.182	-0.150
F3	-1.139	-0.271
H4	-0.178	1.496
H5	1.277	-1.222
H6	2.061	0.467

	C1	C2	F3	H4	H5	H6
C1		1.3182	1.3393	1.0770	2.0902	2.0617
C2	1.3182		2.3242	2.1348	1.0754	1.0743
F3	1.3393	2.3242		2.0114	2.5962	3.2845
H4	1.0770	2.1348	2.0114		3.0819	2.4641
H5	2.0902	1.0754	2.5962	3.0819		1.8617
H6	2.0617	1.0743	3.2845	2.4641	1.8617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.339	C1	C2	H6	118.666
C2	C1	F3	121.988	C2	C1	H4	125.771
F3	C1	H4	112.241	H5	C2	H6	119.994

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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: MP2=FULL/aug-cc-pVQZ

States and conformations

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