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	hartrees
Energy at 0K	-177.821221
Energy at 298.15K
HF Energy	-177.821221
Nuclear repulsion energy	67.251769

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'	3291	3157	6.37	44.98	0.72	0.84
2	A'	3223	3092	13.21	132.69	0.23	0.37
3	A'	3196	3066	2.89	43.39	0.18	0.31
4	A'	1733	1663	93.32	13.12	0.09	0.16
5	A'	1449	1390	5.75	4.09	0.51	0.68
6	A'	1353	1298	1.48	17.99	0.56	0.72
7	A'	1190	1142	89.09	2.60	0.14	0.24
8	A'	950	912	32.25	5.20	0.39	0.56
9	A'	476	457	3.63	1.55	0.67	0.80
10	A"	978	939	31.19	0.50	0.75	0.86
11	A"	864	829	50.64	1.09	0.75	0.86
12	A"	732	702	0.50	9.16	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	1.193	-0.149
F3	-1.151	-0.272
H4	-0.184	1.503
H5	1.300	-1.228
H6	2.087	0.463

	C1	C2	F3	H4	H5	H6
C1		1.3273	1.3499	1.0856	2.1093	2.0868
C2	1.3273		2.3467	2.1509	1.0842	1.0836
F3	1.3499	2.3467		2.0214	2.6303	3.3199
H4	1.0856	2.1509	2.0214		3.1084	2.4978
H5	2.1093	1.0842	2.6303	3.1084		1.8653
H6	2.0868	1.0836	3.3199	2.4978	1.8653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.694	C1	C2	H6	119.559
C2	C1	F3	122.459	C2	C1	H4	125.804
F3	C1	H4	111.736	H5	C2	H6	118.747

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

using model chemistry: TPSSh/6-31G*

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	0.177
2	C	-0.424
3	F	-0.268
4	H	0.160
5	H	0.181
6	H	0.173

	x	y	z	Total
	0.966	0.766	0.000	1.233
CHELPG
AIM
ESP

	x	y	z
x	4.436	-0.505	0.000
y	-0.505	3.276	0.000
z	0.000	0.000	1.474

<r²>	42.971
(<r²>)^1/2	6.555

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

using model chemistry: TPSSh/6-31G*

States and conformations

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