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	hartrees
Energy at 0K	-217.818070
Energy at 298.15K	-217.825895
HF Energy	-217.132490
Nuclear repulsion energy	131.781787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3148	3000
2	A'	3143	2995
3	A'	3052	2909
4	A'	3046	2903
5	A'	1499	1429
6	A'	1478	1409
7	A'	1411	1345
8	A'	1373	1309
9	A'	1198	1142
10	A'	1159	1104
11	A'	970	925
12	A'	830	792
13	A'	471	449
14	A'	346	330
15	A'	260	248
16	A"	3145	2998
17	A"	3136	2989
18	A"	3048	2905
19	A"	1476	1407
20	A"	1469	1400
21	A"	1415	1349
22	A"	1364	1300
23	A"	1171	1116
24	A"	937	893
25	A"	922	878
26	A"	402	383
27	A"	213	203

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.247	0.000
F2	-0.874	1.048	0.000
H3	1.148	0.938	0.000
C4	0.280	-0.588	1.276
C5	0.280	-0.588	-1.276
H6	1.199	-1.202	1.335
H7	1.199	-1.202	-1.335
H8	0.235	0.068	2.163
H9	0.235	0.068	-2.163
H10	-0.598	-1.260	1.289
H11	-0.598	-1.260	-1.289

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4047	1.1092	1.5246	1.5246	2.1736	2.1736	2.1712	2.1712	2.1691	2.1691
F2	1.4047		2.0242	2.3738	2.3738	3.3373	3.3373	2.6207	2.6207	2.6578	2.6578
H3	1.1092	2.0242		2.1701	2.1701	2.5230	2.5230	2.5040	2.5040	3.0892	3.0892
C4	1.5246	2.3738	2.1701		2.5517	1.1062	2.8351	1.1049	3.5016	1.1062	2.7936
C5	1.5246	2.3738	2.1701	2.5517		2.8351	1.1062	3.5016	1.1049	2.7936	1.1062
H6	2.1736	3.3373	2.5230	1.1062	2.8351		2.6706	1.7967	3.8449	1.7985	3.1815
H7	2.1736	3.3373	2.5230	2.8351	1.1062	2.6706		3.8449	1.7967	3.1815	1.7985
H8	2.1712	2.6207	2.5040	1.1049	3.5016	1.7967	3.8449		4.3268	1.7951	3.7922
H9	2.1712	2.6207	2.5040	3.5016	1.1049	3.8449	1.7967	4.3268		3.7922	1.7951
H10	2.1691	2.6578	3.0892	1.1062	2.7936	1.7985	3.1815	1.7951	3.7922		2.5790
H11	2.1691	2.6578	3.0892	2.7936	1.1062	3.1815	1.7985	3.7922	1.7951	2.5790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.301	C1	C4	H10	110.053
C1	C5	H7	110.413	C1	C5	H9	110.301
C1	C5	H11	110.053	F2	C1	H3	106.664
F2	C1	C4	108.191	F2	C1	C5	108.191
H3	C1	C4	109.959	H3	C1	C5	109.959
C4	C1	C5	113.610	H7	C5	H9	108.701
H7	C5	H11	108.766	H8	C4	H10	108.559
H9	C5	H11	108.559

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

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

States and conformations

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