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	hartrees
Energy at 0K	-217.775364
Energy at 298.15K	-217.783287
HF Energy	-217.138168
Nuclear repulsion energy	132.558495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3043	25.51
2	A'	3229	3033	33.11
3	A'	3152	2960	26.22
4	A'	3129	2939	8.22
5	A'	1556	1462	8.93
6	A'	1539	1446	6.21
7	A'	1464	1375	19.17
8	A'	1394	1309	18.15
9	A'	1238	1163	8.86
10	A'	1170	1099	43.07
11	A'	976	916	47.49
12	A'	841	790	20.66
13	A'	482	453	3.80
14	A'	360	338	0.86
15	A'	274	257	0.10
16	A"	3237	3041	12.16
17	A"	3224	3028	0.91
18	A"	3126	2936	13.53
19	A"	1533	1440	0.06
20	A"	1528	1435	0.19
21	A"	1462	1373	31.01
22	A"	1416	1330	1.44
23	A"	1205	1131	11.41
24	A"	969	910	0.00
25	A"	958	900	0.38
26	A"	412	387	7.59
27	A"	226	212	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.288	0.240	0.000
F2	-0.893	1.033	0.000
H3	1.114	0.952	0.000
C4	0.288	-0.581	1.267
C5	0.288	-0.581	-1.267
H6	1.201	-1.172	1.328
H7	1.201	-1.172	-1.328
H8	0.233	0.066	2.139
H9	0.233	0.066	-2.139
H10	-0.567	-1.254	1.273
H11	-0.567	-1.254	-1.273

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4227	1.0908	1.5094	1.5094	2.1425	2.1425	2.1466	2.1466	2.1411	2.1411
F2	1.4227		2.0090	2.3672	2.3672	3.3181	3.3181	2.6031	2.6031	2.6379	2.6379
H3	1.0908	2.0090		2.1534	2.1534	2.5070	2.5070	2.4772	2.4772	3.0521	3.0521
C4	1.5094	2.3672	2.1534		2.5337	1.0893	2.8134	1.0873	3.4671	1.0884	2.7633
C5	1.5094	2.3672	2.1534	2.5337		2.8134	1.0893	3.4671	1.0873	2.7633	1.0884
H6	2.1425	3.3181	2.5070	1.0893	2.8134		2.6558	1.7689	3.8065	1.7700	3.1457
H7	2.1425	3.3181	2.5070	2.8134	1.0893	2.6558		3.8065	1.7689	3.1457	1.7700
H8	2.1466	2.6031	2.4772	1.0873	3.4671	1.7689	3.8065		4.2777	1.7700	3.7450
H9	2.1466	2.6031	2.4772	3.4671	1.0873	3.8065	1.7689	4.2777		3.7450	1.7700
H10	2.1411	2.6379	3.0521	1.0884	2.7633	1.7700	3.1457	1.7700	3.7450		2.5463
H11	2.1411	2.6379	3.0521	2.7633	1.0884	3.1457	1.7700	3.7450	1.7700	2.5463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.467	C1	C4	H10	109.958
C1	C5	H7	110.022	C1	C5	H9	110.467
C1	C5	H11	109.958	F2	C1	H3	105.355
F2	C1	C4	107.637	F2	C1	C5	107.637
H3	C1	C4	110.794	H3	C1	C5	110.794
C4	C1	C5	114.140	H7	C5	H9	108.726
H7	C5	H11	108.741	H8	C4	H10	108.888
H9	C5	H11	108.888

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

using model chemistry: MP2=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: MP2=FULL/6-31+G**

States and conformations

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