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	hartrees
Energy at 0K	-217.726017
Energy at 298.15K	-217.733935
HF Energy	-217.117714
Nuclear repulsion energy	132.345302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3011	31.58
2	A'	3156	3005	47.44
3	A'	3076	2929	4.58
4	A'	3072	2926	37.88
5	A'	1559	1484	6.33
6	A'	1542	1468	4.52
7	A'	1471	1401	17.73
8	A'	1422	1354	18.55
9	A'	1240	1181	9.19
10	A'	1196	1139	41.96
11	A'	993	946	35.02
12	A'	851	810	9.05
13	A'	485	462	3.33
14	A'	358	341	0.93
15	A'	273	260	0.15
16	A"	3160	3009	16.61
17	A"	3149	2999	0.06
18	A"	3072	2925	13.16
19	A"	1536	1463	0.05
20	A"	1531	1458	0.03
21	A"	1471	1401	29.67
22	A"	1423	1355	1.86
23	A"	1202	1145	10.35
24	A"	976	930	0.01
25	A"	956	910	0.48
26	A"	411	392	7.13
27	A"	231	220	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.285	0.245	0.000
F2	-0.884	1.031	0.000
H3	1.131	0.948	0.000
C4	0.285	-0.581	1.272
C5	0.285	-0.581	-1.272
H6	1.198	-1.185	1.342
H7	1.198	-1.185	-1.342
H8	0.229	0.073	2.149
H9	0.229	0.073	-2.149
H10	-0.582	-1.252	1.281
H11	-0.582	-1.252	-1.281

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4092	1.0992	1.5167	1.5167	2.1629	2.1629	2.1570	2.1570	2.1526	2.1526
F2	1.4092		2.0167	2.3629	2.3629	3.3236	3.3236	2.6031	2.6031	2.6347	2.6347
H3	1.0992	2.0167		2.1609	2.1609	2.5205	2.5205	2.4894	2.4894	3.0678	3.0678
C4	1.5167	2.3629	2.1609		2.5447	1.0970	2.8341	1.0956	3.4842	1.0966	2.7789
C5	1.5167	2.3629	2.1609	2.5447		2.8341	1.0970	3.4842	1.0956	2.7789	1.0966
H6	2.1629	3.3236	2.5205	1.0970	2.8341		2.6835	1.7819	3.8355	1.7825	3.1706
H7	2.1629	3.3236	2.5205	2.8341	1.0970	2.6835		3.8355	1.7819	3.1706	1.7825
H8	2.1570	2.6031	2.4894	1.0956	3.4842	1.7819	3.8355		4.2988	1.7798	3.7659
H9	2.1570	2.6031	2.4894	3.4842	1.0956	3.8355	1.7819	4.2988		3.7659	1.7798
H10	2.1526	2.6347	3.0678	1.0966	2.7789	1.7825	3.1706	1.7798	3.7659		2.5622
H11	2.1526	2.6347	3.0678	2.7789	1.0966	3.1706	1.7825	3.7659	1.7798	2.5622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.280	C1	C4	H10	109.867
C1	C5	H7	110.663	C1	C5	H9	110.280
C1	C5	H11	109.867	F2	C1	H3	106.370
F2	C1	C4	107.664	F2	C1	C5	107.664
H3	C1	C4	110.370	H3	C1	C5	110.370
C4	C1	C5	114.040	H7	C5	H9	108.721
H7	C5	H11	108.699	H8	C4	H10	108.561
H9	C5	H11	108.561

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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