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	hartrees
Energy at 0K	-218.389050
Energy at 298.15K	-218.396896
HF Energy	-218.389050
Nuclear repulsion energy	132.875110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3012	29.93
2	A'	3144	3008	49.30
3	A'	3063	2930	9.47
4	A'	3060	2927	28.94
5	A'	1512	1447	7.60
6	A'	1490	1426	7.34
7	A'	1419	1357	23.31
8	A'	1384	1324	9.70
9	A'	1202	1150	12.53
10	A'	1164	1114	56.35
11	A'	964	922	41.60
12	A'	837	800	10.37
13	A'	476	456	3.07
14	A'	350	335	0.96
15	A'	255	244	0.13
16	A"	3147	3010	17.10
17	A"	3136	3001	0.00
18	A"	3059	2926	14.19
19	A"	1487	1423	0.00
20	A"	1480	1416	0.01
21	A"	1417	1355	37.39
22	A"	1374	1314	0.83
23	A"	1174	1124	13.99
24	A"	944	903	0.02
25	A"	932	892	0.75
26	A"	409	392	7.16
27	A"	214	205	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.240	0.000
F2	-0.870	1.038	0.000
H3	1.128	0.933	0.000
C4	0.280	-0.582	1.268
C5	0.280	-0.582	-1.268
H6	1.192	-1.178	1.339
H7	1.192	-1.178	-1.339
H8	0.223	0.069	2.142
H9	0.223	0.069	-2.142
H10	-0.579	-1.257	1.282
H11	-0.579	-1.257	-1.282

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3992	1.0952	1.5109	1.5109	2.1536	2.1536	2.1496	2.1496	2.1498	2.1498
F2	1.3992		2.0007	2.3561	2.3561	3.3099	3.3099	2.5928	2.5928	2.6444	2.6444
H3	1.0952	2.0007		2.1496	2.1496	2.5011	2.5011	2.4806	2.4806	3.0580	3.0580
C4	1.5109	2.3561	2.1496		2.5358	1.0923	2.8260	1.0909	3.4718	1.0922	2.7744
C5	1.5109	2.3561	2.1496	2.5358		2.8260	1.0923	3.4718	1.0909	2.7744	1.0922
H6	2.1536	3.3099	2.5011	1.0923	2.8260		2.6788	1.7711	3.8227	1.7732	3.1647
H7	2.1536	3.3099	2.5011	2.8260	1.0923	2.6788		3.8227	1.7711	3.1647	1.7732
H8	2.1496	2.5928	2.4806	1.0909	3.4718	1.7711	3.8227		4.2841	1.7715	3.7585
H9	2.1496	2.5928	2.4806	3.4718	1.0909	3.8227	1.7711	4.2841		3.7585	1.7715
H10	2.1498	2.6444	3.0580	1.0922	2.7744	1.7732	3.1647	1.7715	3.7585		2.5650
H11	2.1498	2.6444	3.0580	2.7744	1.0922	3.1647	1.7732	3.7585	1.7715	2.5650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.384	C1	C4	H10	110.321
C1	C5	H7	110.618	C1	C5	H9	110.384
C1	C5	H11	110.321	F2	C1	H3	106.015
F2	C1	C4	108.059	F2	C1	C5	108.059
H3	C1	C4	110.121	H3	C1	C5	110.121
C4	C1	C5	114.106	H7	C5	H9	108.441
H7	C5	H11	108.531	H8	C4	H10	108.481
H9	C5	H11	108.481

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

using model chemistry: mPW1PW91/6-311G**

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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Number	Element	Mulliken
1	C	0.095
2	F	-0.293
3	H	0.111
4	C	-0.336
5	C	-0.336
6	H	0.118
7	H	0.118
8	H	0.135
9	H	0.135
10	H	0.126
11	H	0.126

	x	y	z	Total
	1.481	-1.158	0.000	1.880
CHELPG
AIM
ESP

	x	y	z
x	5.064	-0.022	0.000
y	-0.022	5.152	0.000
z	0.000	0.000	5.785

<r²>	85.340
(<r²>)^1/2	9.238

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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