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	hartrees
Energy at 0K	-218.200335
Energy at 298.15K	-218.208161
HF Energy	-217.982126
Nuclear repulsion energy	131.885118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3034	30.40
2	A'	3144	3024	43.37
3	A'	3081	2963	21.44
4	A'	3061	2944	9.54
5	A'	1497	1440	6.87
6	A'	1478	1422	5.40
7	A'	1407	1353	16.99
8	A'	1354	1302	9.80
9	A'	1197	1152	9.07
10	A'	1132	1089	47.34
11	A'	942	906	46.84
12	A'	818	787	22.27
13	A'	475	457	3.25
14	A'	354	340	1.15
15	A'	255	245	0.07
16	A"	3152	3031	17.04
17	A"	3136	3017	0.62
18	A"	3057	2940	13.00
19	A"	1472	1416	0.00
20	A"	1468	1412	0.05
21	A"	1410	1356	28.83
22	A"	1368	1316	0.34
23	A"	1172	1128	12.20
24	A"	939	904	0.01
25	A"	929	893	0.46
26	A"	405	390	7.00
27	A"	209	201	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.286	0.238	0.000
F2	-0.889	1.042	0.000
H3	1.123	0.950	0.000
C4	0.286	-0.584	1.274
C5	0.286	-0.584	-1.274
H6	1.208	-1.177	1.337
H7	1.208	-1.177	-1.337
H8	0.233	0.070	2.153
H9	0.233	0.070	-2.153
H10	-0.573	-1.268	1.289
H11	-0.573	-1.268	-1.289

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4238	1.0998	1.5163	1.5163	2.1544	2.1544	2.1603	2.1603	2.1599	2.1599
F2	1.4238		2.0146	2.3766	2.3766	3.3337	3.3337	2.6151	2.6151	2.6638	2.6638
H3	1.0998	2.0146		2.1632	2.1632	2.5144	2.5144	2.4907	2.4907	3.0756	3.0756
C4	1.5163	2.3766	2.1632		2.5488	1.0988	2.8326	1.0966	3.4897	1.0981	2.7886
C5	1.5163	2.3766	2.1632	2.5488		2.8326	1.0988	3.4897	1.0966	2.7886	1.0981
H6	2.1544	3.3337	2.5144	1.0988	2.8326		2.6742	1.7816	3.8327	1.7846	3.1746
H7	2.1544	3.3337	2.5144	2.8326	1.0988	2.6742		3.8327	1.7816	3.1746	1.7846
H8	2.1603	2.6151	2.4907	1.0966	3.4897	1.7816	3.8327		4.3062	1.7850	3.7798
H9	2.1603	2.6151	2.4907	3.4897	1.0966	3.8327	1.7816	4.3062		3.7798	1.7850
H10	2.1599	2.6638	3.0756	1.0981	2.7886	1.7846	3.1746	1.7850	3.7798		2.5778
H11	2.1599	2.6638	3.0756	2.7886	1.0981	3.1746	1.7846	3.7798	1.7850	2.5778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.507	C1	C4	H10	110.393
C1	C5	H7	109.918	C1	C5	H9	110.507
C1	C5	H11	110.393	F2	C1	H3	105.212
F2	C1	C4	107.826	F2	C1	C5	107.826
H3	C1	C4	110.552	H3	C1	C5	110.552
C4	C1	C5	114.385	H7	C5	H9	108.487
H7	C5	H11	108.646	H8	C4	H10	108.839
H9	C5	H11	108.839

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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 CH3CHFCH3 (2-Fluoropropane)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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