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	hartrees
Energy at 0K	-216.808476
Energy at 298.15K	-216.802795
HF Energy	-215.915805
Nuclear repulsion energy	114.085134

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'	3398	3398	13.20	63.98	0.28	0.44
2	A'	3349	3349	12.88	65.42	0.26	0.42
3	A'	3263	3263	29.00	71.12	0.75	0.86
4	A'	3186	3186	34.27	135.99	0.02	0.04
5	A'	1929	1929	66.84	30.61	0.17	0.28
6	A'	1633	1633	5.90	22.67	0.69	0.82
7	A'	1559	1559	1.67	7.74	0.66	0.80
8	A'	1463	1463	1.57	11.79	0.54	0.70
9	A'	1397	1397	8.00	10.63	0.37	0.53
10	A'	1260	1260	140.44	2.35	0.42	0.59
11	A'	1197	1197	50.47	3.01	0.71	0.83
12	A'	995	995	9.22	4.38	0.21	0.35
13	A'	571	571	11.64	4.61	0.38	0.55
14	A'	315	315	2.85	0.19	0.31	0.47
15	A"	3244	3244	33.86	99.33	0.75	0.86
16	A"	1616	1616	5.54	15.50	0.75	0.86
17	A"	1172	1172	2.37	0.87	0.75	0.86
18	A"	1067	1067	43.39	0.48	0.75	0.86
19	A"	918	918	7.10	13.76	0.75	0.86
20	A"	312	312	0.29	0.44	0.75	0.86
21	A"	220	220	0.52	1.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.334	1.302	0.000
C2	0.000	0.608	0.000
C3	0.138	-0.696	0.000
F4	1.332	-1.284	0.000
H5	-2.156	0.590	0.000
H6	-1.442	1.938	0.877
H7	-1.442	1.938	-0.877
H8	0.892	1.216	0.000
H9	-0.663	-1.414	0.000

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.5037	2.4820	3.7139	1.0872	1.0886	1.0886	2.2280	2.7978
C2	1.5037		1.3117	2.3138	2.1556	2.1484	2.1484	1.0793	2.1282
C3	2.4820	1.3117		1.3301	2.6297	3.1945	3.1945	2.0550	1.0758
F4	3.7139	2.3138	1.3301		3.9585	4.3408	4.3408	2.5380	1.9984
H5	1.0872	2.1556	2.6297	3.9585		1.7600	1.7600	3.1114	2.4986
H6	1.0886	2.1484	3.1945	4.3408	1.7600		1.7533	2.5956	3.5516
H7	1.0886	2.1484	3.1945	4.3408	1.7600	1.7533		2.5956	3.5516
H8	2.2280	1.0793	2.0550	2.5380	3.1114	2.5956	2.5956		3.0550
H9	2.7978	2.1282	1.0758	1.9984	2.4986	3.5516	3.5516	3.0550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.527	C1	C2	H8	118.285
C2	C1	H5	111.597	C2	C1	H6	110.929
C2	C1	H7	110.929	C2	C3	F4	122.295
C2	C3	H9	125.811	C3	C2	H8	118.188
F4	C3	H9	111.894	H5	C1	H6	107.970
H5	C1	H7	107.970	H6	C1	H7	107.273

All results from a given calculation for CH₃CHCHF (trans-1-Fluoro-1-propene)

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 CH3CHCHF (trans-1-Fluoro-1-propene)

using model chemistry: CBS-Q

States and conformations

All results from a given calculation for CH₃CHCHF (trans-1-Fluoro-1-propene)