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	hartrees
Energy at 0K	-217.835393
Energy at 298.15K	-217.843261
HF Energy	-217.138004
Nuclear repulsion energy	132.216298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3192	3192
2	A'	3179	3179
3	A'	3110	3110
4	A'	3091	3091
5	A'	1546	1546
6	A'	1530	1530
7	A'	1458	1458
8	A'	1385	1385
9	A'	1230	1230
10	A'	1163	1163
11	A'	966	966
12	A'	831	831
13	A'	477	477
14	A'	355	355
15	A'	264	264
16	A"	3188	3188
17	A"	3173	3173
18	A"	3088	3088
19	A"	1525	1525
20	A"	1519	1519
21	A"	1457	1457
22	A"	1410	1410
23	A"	1192	1192
24	A"	963	963
25	A"	950	950
26	A"	408	408
27	A"	216	216

Atom	x (Å)	y (Å)	z (Å)
C1	0.288	0.241	0.000
F2	-0.894	1.034	0.000
H3	1.117	0.954	0.000
C4	0.288	-0.582	1.272
C5	0.288	-0.582	-1.272
H6	1.203	-1.176	1.333
H7	1.203	-1.176	-1.333
H8	0.234	0.069	2.145
H9	0.234	0.069	-2.145
H10	-0.570	-1.256	1.280
H11	-0.570	-1.256	-1.280

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4235	1.0932	1.5151	1.5151	2.1496	2.1496	2.1526	2.1526	2.1485	2.1485
F2	1.4235		2.0120	2.3722	2.3722	3.3252	3.3252	2.6086	2.6086	2.6438	2.6438
H3	1.0932	2.0120		2.1597	2.1597	2.5141	2.5141	2.4829	2.4829	3.0607	3.0607
C4	1.5151	2.3722	2.1597		2.5444	1.0921	2.8246	1.0899	3.4790	1.0911	2.7759
C5	1.5151	2.3722	2.1597	2.5444		2.8246	1.0921	3.4790	1.0899	2.7759	1.0911
H6	2.1496	3.3252	2.5141	1.0921	2.8246		2.6668	1.7737	3.8192	1.7751	3.1590
H7	2.1496	3.3252	2.5141	2.8246	1.0921	2.6668		3.8192	1.7737	3.1590	1.7751
H8	2.1526	2.6086	2.4829	1.0899	3.4790	1.7737	3.8192		4.2901	1.7743	3.7594
H9	2.1526	2.6086	2.4829	3.4790	1.0899	3.8192	1.7737	4.2901		3.7594	1.7743
H10	2.1485	2.6438	3.0607	1.0911	2.7759	1.7751	3.1590	1.7743	3.7594		2.5606
H11	2.1485	2.6438	3.0607	2.7759	1.0911	3.1590	1.7751	3.7594	1.7743	2.5606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.383	C1	C4	H10	109.983
C1	C5	H7	110.012	C1	C5	H9	110.383
C1	C5	H11	109.983	F2	C1	H3	105.401
F2	C1	C4	107.618	F2	C1	C5	107.618
H3	C1	C4	110.751	H3	C1	C5	110.751
C4	C1	C5	114.217	H7	C5	H9	108.749
H7	C5	H11	108.794	H8	C4	H10	108.882
H9	C5	H11	108.882

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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/6-31+G**

States and conformations

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