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	hartrees
Energy at 0K	-217.207426
Energy at 298.15K	-217.215520
HF Energy	-217.207426
Nuclear repulsion energy	133.608758

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'	3241	2951	72.94	61.60	0.43	0.61
2	A'	3234	2944	60.57	73.81	0.75	0.86
3	A'	3185	2899	15.05	162.40	0.28	0.43
4	A'	3169	2885	13.91	274.75	0.00	0.00
5	A'	1626	1480	5.19	0.80	0.73	0.84
6	A'	1606	1462	5.12	4.72	0.75	0.86
7	A'	1547	1408	18.88	1.52	0.51	0.68
8	A'	1496	1362	13.52	4.22	0.55	0.71
9	A'	1299	1182	10.63	3.00	0.14	0.24
10	A'	1259	1146	64.47	2.12	0.74	0.85
11	A'	1040	947	64.47	5.44	0.60	0.75
12	A'	876	797	10.57	11.30	0.09	0.17
13	A'	514	468	3.77	0.59	0.07	0.13
14	A'	376	343	0.89	0.26	0.42	0.59
15	A'	275	250	0.13	0.01	0.68	0.81
16	A"	3235	2945	28.19	49.59	0.75	0.86
17	A"	3223	2935	0.28	7.19	0.75	0.86
18	A"	3163	2879	19.09	1.58	0.75	0.86
19	A"	1603	1459	0.01	4.98	0.75	0.86
20	A"	1597	1454	0.03	4.03	0.75	0.86
21	A"	1544	1406	22.94	0.45	0.75	0.86
22	A"	1495	1361	2.58	1.17	0.75	0.86
23	A"	1244	1132	15.07	3.81	0.75	0.86
24	A"	1015	924	0.05	1.52	0.75	0.86
25	A"	1005	915	0.14	0.86	0.75	0.86
26	A"	443	403	7.97	0.71	0.75	0.86
27	A"	229	208	0.01	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.243	0.000
F2	-0.854	1.034	0.000
H3	1.117	0.923	0.000
C4	0.274	-0.581	1.269
C5	0.274	-0.581	-1.269
H6	1.175	-1.179	1.328
H7	1.175	-1.179	-1.328
H8	0.232	0.065	2.137
H9	0.232	0.065	-2.137
H10	-0.583	-1.243	1.291
H11	-0.583	-1.243	-1.291

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3779	1.0835	1.5127	1.5127	2.1443	2.1443	2.1447	2.1447	2.1472	2.1472
F2	1.3779		1.9743	2.3430	2.3430	3.2833	3.2833	2.5859	2.5859	2.6320	2.6320
H3	1.0835	1.9743		2.1408	2.1408	2.4874	2.4874	2.4668	2.4668	3.0417	3.0417
C4	1.5127	2.3430	2.1408		2.5380	1.0837	2.8134	1.0823	3.4668	1.0834	2.7802
C5	1.5127	2.3430	2.1408	2.5380		2.8134	1.0837	3.4668	1.0823	2.7802	1.0834
H6	2.1443	3.2833	2.4874	1.0837	2.8134		2.6560	1.7578	3.8002	1.7599	3.1556
H7	2.1443	3.2833	2.4874	2.8134	1.0837	2.6560		3.8002	1.7578	3.1556	1.7599
H8	2.1447	2.5859	2.4668	1.0823	3.4668	1.7578	3.8002		4.2738	1.7582	3.7590
H9	2.1447	2.5859	2.4668	3.4668	1.0823	3.8002	1.7578	4.2738		3.7590	1.7582
H10	2.1472	2.6320	3.0417	1.0834	2.7802	1.7599	3.1556	1.7582	3.7590		2.5829
H11	2.1472	2.6320	3.0417	2.7802	1.0834	3.1556	1.7599	3.7590	1.7582	2.5829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.373	C1	C4	H10	110.507
C1	C5	H7	110.259	C1	C5	H9	110.373
C1	C5	H11	110.507	F2	C1	H3	106.049
F2	C1	C4	108.211	F2	C1	C5	108.211
H3	C1	C4	109.990	H3	C1	C5	109.990
C4	C1	C5	114.048	H7	C5	H9	108.497
H7	C5	H11	108.598	H8	C4	H10	108.548
H9	C5	H11	108.548

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

using model chemistry: HF/aug-cc-pVTZ

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	0.451
2	F	-0.573
3	H	0.335
4	C	-0.996
5	C	-0.996
6	H	0.315
7	H	0.315
8	H	0.281
9	H	0.281
10	H	0.294
11	H	0.294

	x	y	z	Total
	1.610	-1.259	0.000	2.044
CHELPG
AIM
ESP

	x	y	z
x	5.346	-0.079	0.000
y	-0.079	5.451	0.000
z	0.000	0.000	6.028

<r²>	84.942
(<r²>)^1/2	9.216

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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