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	hartrees
Energy at 0K	-177.667759
Energy at 298.15K
HF Energy	-177.518794
Nuclear repulsion energy	67.202234

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'	3311	3171	1.56	46.38	0.72	0.83
2	A'	3234	3097	9.35	125.60	0.24	0.39
3	A'	3199	3063	1.07	58.03	0.15	0.26
4	A'	1728	1655	99.52	15.78	0.08	0.15
5	A'	1409	1349	5.24	2.77	0.57	0.72
6	A'	1331	1274	1.60	17.86	0.58	0.73
7	A'	1180	1131	94.50	1.89	0.15	0.25
8	A'	945	905	34.16	4.72	0.40	0.57
9	A'	480	460	4.39	1.63	0.66	0.80
10	A"	974	933	27.13	0.73	0.75	0.86
11	A"	872	835	43.81	1.74	0.75	0.86
12	A"	735	704	1.01	6.65	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.432
C2	1.193	-0.156
F3	-1.152	-0.265
H4	-0.170	1.511
H5	1.285	-1.243
H6	2.091	0.460

	C1	C2	F3	H4	H5	H6
C1		1.3306	1.3464	1.0924	2.1114	2.0911
C2	1.3306		2.3473	2.1543	1.0904	1.0891
F3	1.3464	2.3473		2.0295	2.6256	3.3226
H4	1.0924	2.1543	2.0295		3.1153	2.4937
H5	2.1114	1.0904	2.6256	3.1153		1.8841
H6	2.0911	1.0891	3.3226	2.4937	1.8841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.101	C1	C2	H6	119.251
C2	C1	F3	122.533	C2	C1	H4	125.238
F3	C1	H4	112.229	H5	C2	H6	119.648

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

using model chemistry: B2PLYP/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	0.152
2	C	-0.076
3	F	-0.188
4	H	0.023
5	H	0.045
6	H	0.045

	x	y	z	Total
	1.002	0.791	0.000	1.277
CHELPG
AIM
ESP

	x	y	z
x	4.473	-0.531	0.000
y	-0.531	3.377	0.000
z	0.000	0.000	1.643

<r²>	43.246
(<r²>)^1/2	6.576

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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