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	hartrees
Energy at 0K	-217.883411
Energy at 298.15K	-217.891216
HF Energy	-217.147418
Nuclear repulsion energy	131.367477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3126	3033
2	A'	3114	3021
3	A'	3053	2962
4	A'	3030	2939
5	A'	1491	1447
6	A'	1472	1428
7	A'	1401	1359
8	A'	1349	1308
9	A'	1190	1155
10	A'	1130	1096
11	A'	947	919
12	A'	815	791
13	A'	469	455
14	A'	349	338
15	A'	254	247
16	A"	3123	3030
17	A"	3108	3015
18	A"	3026	2936
19	A"	1468	1424
20	A"	1463	1419
21	A"	1406	1364
22	A"	1359	1318
23	A"	1166	1131
24	A"	932	904
25	A"	919	891
26	A"	403	391
27	A"	209	203

Atom	x (Å)	y (Å)	z (Å)
C1	0.287	0.244	0.000
F2	-0.893	1.044	0.000
H3	1.130	0.960	0.000
C4	0.287	-0.587	1.278
C5	0.287	-0.587	-1.278
H6	1.214	-1.186	1.337
H7	1.214	-1.186	-1.337
H8	0.234	0.068	2.164
H9	0.234	0.068	-2.164
H10	-0.579	-1.271	1.286
H11	-0.579	-1.271	-1.286

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4262	1.1056	1.5243	1.5243	2.1661	2.1661	2.1717	2.1717	2.1679	2.1679
F2	1.4262		2.0250	2.3847	2.3847	3.3468	3.3468	2.6281	2.6281	2.6666	2.6666
H3	1.1056	2.0250		2.1761	2.1761	2.5300	2.5300	2.5062	2.5062	3.0905	3.0905
C4	1.5243	2.3847	2.1761		2.5560	1.1049	2.8384	1.1026	3.5039	1.1042	2.7917
C5	1.5243	2.3847	2.1761	2.5560		2.8384	1.1049	3.5039	1.1026	2.7917	1.1042
H6	2.1661	3.3468	2.5300	1.1049	2.8384		2.6744	1.7930	3.8456	1.7957	3.1786
H7	2.1661	3.3468	2.5300	2.8384	1.1049	2.6744		3.8456	1.7930	3.1786	1.7957
H8	2.1717	2.6281	2.5062	1.1026	3.5039	1.7930	3.8456		4.3277	1.7954	3.7888
H9	2.1717	2.6281	2.5062	3.5039	1.1026	3.8456	1.7930	4.3277		3.7888	1.7954
H10	2.1679	2.6666	3.0905	1.1042	2.7917	1.7957	3.1786	1.7954	3.7888		2.5721
H11	2.1679	2.6666	3.0905	2.7917	1.1042	3.1786	1.7957	3.7888	1.7954	2.5721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.497	C1	C4	H10	110.105
C1	C5	H7	109.916	C1	C5	H9	110.497
C1	C5	H11	110.105	F2	C1	H3	105.533
F2	C1	C4	107.800	F2	C1	C5	107.800
H3	C1	C4	110.663	H3	C1	C5	110.663
C4	C1	C5	113.948	H7	C5	H9	108.631
H7	C5	H11	108.751	H8	C4	H10	108.899
H9	C5	H11	108.899

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

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

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