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	hartrees
Energy at 0K	-217.180519
Energy at 298.15K	-217.188602
HF Energy	-217.180519
Nuclear repulsion energy	133.458234

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'	3250	2953	89.18	61.20	0.43	0.61
2	A'	3242	2946	66.48	84.79	0.75	0.86
3	A'	3203	2910	13.60	165.39	0.40	0.57
4	A'	3173	2883	13.72	221.81	0.00	0.01
5	A'	1627	1478	5.25	2.68	0.74	0.85
6	A'	1605	1459	5.19	10.29	0.75	0.86
7	A'	1547	1405	23.91	4.60	0.35	0.52
8	A'	1505	1367	13.64	6.14	0.71	0.83
9	A'	1298	1179	12.05	2.08	0.21	0.35
10	A'	1261	1146	61.11	2.52	0.75	0.86
11	A'	1044	948	62.75	7.40	0.61	0.76
12	A'	878	798	11.50	9.28	0.15	0.26
13	A'	511	464	4.32	0.44	0.06	0.12
14	A'	375	341	0.78	0.24	0.26	0.41
15	A'	275	250	0.23	0.02	0.75	0.86
16	A"	3243	2946	28.72	60.56	0.75	0.86
17	A"	3231	2936	0.17	7.51	0.75	0.86
18	A"	3167	2877	20.43	2.83	0.75	0.86
19	A"	1604	1457	0.01	12.93	0.75	0.86
20	A"	1597	1451	0.29	7.67	0.75	0.86
21	A"	1548	1406	27.08	0.02	0.75	0.86
22	A"	1491	1354	2.98	2.09	0.75	0.86
23	A"	1246	1132	14.89	4.95	0.75	0.86
24	A"	1014	921	0.02	2.75	0.75	0.86
25	A"	1006	914	0.11	1.15	0.75	0.86
26	A"	441	401	8.84	0.78	0.75	0.86
27	A"	229	208	0.00	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.243	0.000
F2	-0.859	1.030	0.000
H3	1.117	0.928	0.000
C4	0.276	-0.579	1.271
C5	0.276	-0.579	-1.271
H6	1.180	-1.177	1.336
H7	1.180	-1.177	-1.336
H8	0.228	0.070	2.138
H9	0.228	0.070	-2.138
H10	-0.582	-1.244	1.292
H11	-0.582	-1.244	-1.292

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3804	1.0846	1.5140	1.5140	2.1496	2.1496	2.1458	2.1458	2.1488	2.1488
F2	1.3804		1.9782	2.3434	2.3434	3.2882	3.2882	2.5835	2.5835	2.6300	2.6300
H3	1.0846	1.9782		2.1437	2.1437	2.4942	2.4942	2.4697	2.4697	3.0453	3.0453
C4	1.5140	2.3434	2.1437		2.5417	1.0859	2.8234	1.0844	3.4707	1.0855	2.7828
C5	1.5140	2.3434	2.1437	2.5417		2.8234	1.0859	3.4707	1.0844	2.7828	1.0855
H6	2.1496	3.2882	2.4942	1.0859	2.8234		2.6724	1.7619	3.8122	1.7639	3.1646
H7	2.1496	3.2882	2.4942	2.8234	1.0859	2.6724		3.8122	1.7619	3.1646	1.7639
H8	2.1458	2.5835	2.4697	1.0844	3.4707	1.7619	3.8122		4.2765	1.7605	3.7611
H9	2.1458	2.5835	2.4697	3.4707	1.0844	3.8122	1.7619	4.2765		3.7611	1.7605
H10	2.1488	2.6300	3.0453	1.0855	2.7828	1.7639	3.1646	1.7605	3.7611		2.5830
H11	2.1488	2.6300	3.0453	2.7828	1.0855	3.1646	1.7639	3.7611	1.7605	2.5830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.251	C1	C4	H10	110.419
C1	C5	H7	110.461	C1	C5	H9	110.251
C1	C5	H11	110.419	F2	C1	H3	106.118
F2	C1	C4	108.038	F2	C1	C5	108.038
H3	C1	C4	110.066	H3	C1	C5	110.066
C4	C1	C5	114.161	H7	C5	H9	108.546
H7	C5	H11	108.651	H8	C4	H10	108.454
H9	C5	H11	108.454

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

using model chemistry: HF/6-311G**

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	0.223
2	F	-0.374
3	H	0.073
4	C	-0.251
5	C	-0.251
6	H	0.087
7	H	0.087
8	H	0.106
9	H	0.106
10	H	0.097
11	H	0.097

	x	y	z	Total
	1.626	-1.245	0.000	2.048
CHELPG
AIM
ESP

	x	y	z
x	4.814	-0.006	0.000
y	-0.006	4.853	0.000
z	0.000	0.000	5.375

<r²>	85.069
(<r²>)^1/2	9.223

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

using model chemistry: HF/6-311G**

States and conformations

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