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	hartrees
Energy at 0K	-217.130268
Energy at 298.15K	-217.138344
HF Energy	-217.130268
Nuclear repulsion energy	133.417463

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'	3274	2955	68.28	69.91	0.58	0.73
2	A'	3267	2949	67.50	85.09	0.75	0.86
3	A'	3214	2901	26.42	152.00	0.33	0.50
4	A'	3193	2882	15.35	178.37	0.01	0.01
5	A'	1639	1479	4.06	4.03	0.75	0.86
6	A'	1618	1461	3.68	18.39	0.75	0.86
7	A'	1560	1408	19.58	3.65	0.61	0.75
8	A'	1512	1365	18.40	7.98	0.71	0.83
9	A'	1305	1178	12.61	2.55	0.33	0.50
10	A'	1274	1149	56.81	2.58	0.72	0.84
11	A'	1055	952	53.11	8.24	0.69	0.82
12	A'	884	798	8.68	10.51	0.16	0.28
13	A'	512	462	4.11	0.42	0.06	0.12
14	A'	375	339	0.78	0.16	0.18	0.31
15	A'	277	250	0.19	0.02	0.73	0.84
16	A"	3269	2951	25.62	57.51	0.75	0.86
17	A"	3258	2940	0.31	7.26	0.75	0.86
18	A"	3188	2877	20.80	3.41	0.75	0.86
19	A"	1614	1457	0.00	14.02	0.75	0.86
20	A"	1609	1453	0.33	17.66	0.75	0.86
21	A"	1559	1407	24.15	0.59	0.75	0.86
22	A"	1503	1356	4.34	2.56	0.75	0.86
23	A"	1250	1128	13.63	6.32	0.75	0.86
24	A"	1021	921	0.01	4.42	0.75	0.86
25	A"	1009	910	0.16	0.91	0.75	0.86
26	A"	438	396	8.14	0.56	0.75	0.86
27	A"	232	210	0.00	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.246	0.000
F2	-0.861	1.029	0.000
H3	1.121	0.928	0.000
C4	0.277	-0.579	1.270
C5	0.277	-0.579	-1.270
H6	1.180	-1.178	1.337
H7	1.180	-1.178	-1.337
H8	0.227	0.068	2.139
H9	0.227	0.068	-2.139
H10	-0.581	-1.244	1.289
H11	-0.581	-1.244	-1.289

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3813	1.0853	1.5149	1.5149	2.1518	2.1518	2.1469	2.1469	2.1488	2.1488
F2	1.3813		1.9846	2.3441	2.3441	3.2897	3.2897	2.5852	2.5852	2.6282	2.6282
H3	1.0853	1.9846		2.1444	2.1444	2.4950	2.4950	2.4725	2.4725	3.0456	3.0456
C4	1.5149	2.3441	2.1444		2.5409	1.0853	2.8239	1.0841	3.4706	1.0851	2.7803
C5	1.5149	2.3441	2.1444	2.5409		2.8239	1.0853	3.4706	1.0841	2.7803	1.0851
H6	2.1518	3.2897	2.4950	1.0853	2.8239		2.6748	1.7608	3.8135	1.7623	3.1629
H7	2.1518	3.2897	2.4950	2.8239	1.0853	2.6748		3.8135	1.7608	3.1629	1.7623
H8	2.1469	2.5852	2.4725	1.0841	3.4706	1.7608	3.8135		4.2778	1.7594	3.7586
H9	2.1469	2.5852	2.4725	3.4706	1.0841	3.8135	1.7608	4.2778		3.7586	1.7594
H10	2.1488	2.6282	3.0456	1.0851	2.7803	1.7623	3.1629	1.7594	3.7586		2.5788
H11	2.1488	2.6282	3.0456	2.7803	1.0851	3.1629	1.7623	3.7586	1.7594	2.5788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.286	C1	C4	H10	110.387
C1	C5	H7	110.605	C1	C5	H9	110.286
C1	C5	H11	110.387	F2	C1	H3	106.526
F2	C1	C4	107.984	F2	C1	C5	107.984
H3	C1	C4	110.019	H3	C1	C5	110.019
C4	C1	C5	113.998	H7	C5	H9	108.513
H7	C5	H11	108.582	H8	C4	H10	108.403
H9	C5	H11	108.403

All results from a given calculation for CH₃CHFCH₃ (2-Fluoropropane)

using model chemistry: HF/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	0.313
2	F	-0.429
3	H	0.102
4	C	-0.362
5	C	-0.362
6	H	0.111
7	H	0.111
8	H	0.132
9	H	0.132
10	H	0.126
11	H	0.126

	x	y	z	Total
	1.528	-1.185	0.000	1.934
CHELPG
AIM
ESP

	x	y	z
x	4.652	0.002	0.000
y	0.002	4.666	0.000
z	0.000	0.000	5.075

<r²>	84.990
(<r²>)^1/2	9.219

All results from a given calculation for CH3CHFCH3 (2-Fluoropropane)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for CH₃CHFCH₃ (2-Fluoropropane)