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	hartrees
Energy at 0K	-217.213813
Energy at 298.15K	-217.221892
HF Energy	-217.213813
Nuclear repulsion energy	133.631962

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'	3244	2941	74.83	63.16	0.46	0.63
2	A'	3238	2935	61.05	78.53	0.75	0.86
3	A'	3188	2889	16.53	162.80	0.31	0.47
4	A'	3171	2875	14.03	252.10	0.00	0.01
5	A'	1626	1474	5.34	1.36	0.74	0.85
6	A'	1606	1456	5.01	6.77	0.75	0.86
7	A'	1547	1402	19.80	2.31	0.43	0.60
8	A'	1499	1359	13.18	5.10	0.64	0.78
9	A'	1298	1176	10.95	2.51	0.13	0.23
10	A'	1260	1142	63.89	2.16	0.75	0.86
11	A'	1042	944	63.33	6.35	0.60	0.75
12	A'	876	794	10.15	10.22	0.12	0.21
13	A'	513	465	3.80	0.46	0.07	0.13
14	A'	376	341	0.81	0.21	0.30	0.46
15	A'	275	249	0.15	0.02	0.74	0.85
16	A"	3238	2935	28.31	52.99	0.75	0.86
17	A"	3227	2925	0.26	7.11	0.75	0.86
18	A"	3166	2869	19.75	2.19	0.75	0.86
19	A"	1603	1453	0.01	7.57	0.75	0.86
20	A"	1597	1448	0.05	5.55	0.75	0.86
21	A"	1544	1400	23.52	0.17	0.75	0.86
22	A"	1496	1356	2.75	1.51	0.75	0.86
23	A"	1243	1127	15.37	4.10	0.75	0.86
24	A"	1014	919	0.05	2.08	0.75	0.86
25	A"	1004	910	0.12	0.97	0.75	0.86
26	A"	443	401	7.93	0.75	0.75	0.86
27	A"	229	207	0.01	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.243	0.000
F2	-0.854	1.034	0.000
H3	1.117	0.923	0.000
C4	0.273	-0.581	1.269
C5	0.273	-0.581	-1.269
H6	1.175	-1.180	1.328
H7	1.175	-1.180	-1.328
H8	0.233	0.064	2.137
H9	0.233	0.064	-2.137
H10	-0.584	-1.243	1.291
H11	-0.584	-1.243	-1.291

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3772	1.0834	1.5126	1.5126	2.1444	2.1444	2.1447	2.1447	2.1469	2.1469
F2	1.3772		1.9742	2.3426	2.3426	3.2829	3.2829	2.5859	2.5859	2.6314	2.6314
H3	1.0834	1.9742		2.1404	2.1404	2.4872	2.4872	2.4668	2.4668	3.0413	3.0413
C4	1.5126	2.3426	2.1404		2.5374	1.0836	2.8129	1.0823	3.4663	1.0834	2.7795
C5	1.5126	2.3426	2.1404	2.5374		2.8129	1.0836	3.4663	1.0823	2.7795	1.0834
H6	2.1444	3.2829	2.4872	1.0836	2.8129		2.6555	1.7577	3.7997	1.7597	3.1548
H7	2.1444	3.2829	2.4872	2.8129	1.0836	2.6555		3.7997	1.7577	3.1548	1.7597
H8	2.1447	2.5859	2.4668	1.0823	3.4663	1.7577	3.7997		4.2737	1.7580	3.7584
H9	2.1447	2.5859	2.4668	3.4663	1.0823	3.7997	1.7577	4.2737		3.7584	1.7580
H10	2.1469	2.6314	3.0413	1.0834	2.7795	1.7597	3.1548	1.7580	3.7584		2.5821
H11	2.1469	2.6314	3.0413	2.7795	1.0834	3.1548	1.7597	3.7584	1.7580	2.5821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.383	C1	C4	H10	110.498
C1	C5	H7	110.284	C1	C5	H9	110.383
C1	C5	H11	110.498	F2	C1	H3	106.087
F2	C1	C4	108.224	F2	C1	C5	108.224
H3	C1	C4	109.976	H3	C1	C5	109.976
C4	C1	C5	114.018	H7	C5	H9	108.492
H7	C5	H11	108.589	H8	C4	H10	108.536
H9	C5	H11	108.536

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

using model chemistry: HF/Def2TZVPP

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	0.321
2	F	-0.321
3	H	0.001
4	C	-0.177
5	C	-0.177
6	H	0.047
7	H	0.047
8	H	0.072
9	H	0.072
10	H	0.058
11	H	0.058

	x	y	z	Total
	1.586	-1.240	0.000	2.013
CHELPG
AIM
ESP

	x	y	z
x	5.173	-0.053	0.000
y	-0.053	5.250	0.000
z	0.000	0.000	5.793

<r²>	84.904
(<r²>)^1/2	9.214

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

using model chemistry: HF/Def2TZVPP

States and conformations

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