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	hartrees
Energy at 0K	-218.334637
Energy at 298.15K	-218.342511
HF Energy	-218.334637
Nuclear repulsion energy	132.943351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3159	27.72
2	A'	3155	3155	39.97
3	A'	3083	3083	28.63
4	A'	3074	3074	4.66
5	A'	1538	1538	9.32
6	A'	1511	1511	7.17
7	A'	1437	1437	26.10
8	A'	1398	1398	13.50
9	A'	1214	1214	15.44
10	A'	1185	1185	58.16
11	A'	984	984	38.06
12	A'	846	846	7.66
13	A'	481	481	3.33
14	A'	357	357	0.84
15	A'	263	263	0.14
16	A"	3157	3157	15.03
17	A"	3147	3147	0.00
18	A"	3071	3071	11.52
19	A"	1511	1511	0.10
20	A"	1499	1499	0.01
21	A"	1434	1434	38.30
22	A"	1386	1386	1.64
23	A"	1180	1180	12.96
24	A"	952	952	0.01
25	A"	942	942	0.79
26	A"	413	413	7.17
27	A"	212	212	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.281	0.248	0.000
F2	-0.873	1.032	0.000
H3	1.125	0.946	0.000
C4	0.281	-0.582	1.266
C5	0.281	-0.582	-1.266
H6	1.184	-1.192	1.328
H7	1.184	-1.192	-1.328
H8	0.236	0.063	2.145
H9	0.236	0.063	-2.145
H10	-0.588	-1.243	1.278
H11	-0.588	-1.243	-1.278

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3951	1.0949	1.5137	1.5137	2.1573	2.1573	2.1535	2.1535	2.1474	2.1474
F2	1.3951		1.9997	2.3535	2.3535	3.3081	3.3081	2.6021	2.6021	2.6248	2.6248
H3	1.0949	1.9997		2.1559	2.1559	2.5177	2.5177	2.4841	2.4841	3.0590	3.0590
C4	1.5137	2.3535	2.1559		2.5321	1.0921	2.8138	1.0908	3.4717	1.0923	2.7682
C5	1.5137	2.3535	2.1559	2.5321		2.8138	1.0921	3.4717	1.0908	2.7682	1.0923
H6	2.1573	3.3081	2.5177	1.0921	2.8138		2.6557	1.7726	3.8125	1.7738	3.1515
H7	2.1573	3.3081	2.5177	2.8138	1.0921	2.6557		3.8125	1.7726	3.1515	1.7738
H8	2.1535	2.6021	2.4841	1.0908	3.4717	1.7726	3.8125		4.2901	1.7711	3.7548
H9	2.1535	2.6021	2.4841	3.4717	1.0908	3.8125	1.7726	4.2901		3.7548	1.7711
H10	2.1474	2.6248	3.0590	1.0923	2.7682	1.7738	3.1515	1.7711	3.7548		2.5552
H11	2.1474	2.6248	3.0590	2.7682	1.0923	3.1515	1.7738	3.7548	1.7711	2.5552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.496	C1	C4	H10	109.921
C1	C5	H7	110.728	C1	C5	H9	110.496
C1	C5	H11	109.921	F2	C1	H3	106.229
F2	C1	C4	107.939	F2	C1	C5	107.939
H3	C1	C4	110.443	H3	C1	C5	110.443
C4	C1	C5	113.520	H7	C5	H9	108.598
H7	C5	H11	108.593	H8	C4	H10	108.444
H9	C5	H11	108.444

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

using model chemistry: M06-2X/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	0.067
2	F	-0.294
3	H	0.206
4	C	-0.687
5	C	-0.687
6	H	0.225
7	H	0.225
8	H	0.242
9	H	0.242
10	H	0.232
11	H	0.232

	x	y	z	Total
	1.517	-1.151	0.000	1.904
CHELPG
AIM
ESP

	x	y	z
x	4.953	-0.008	0.000
y	-0.008	5.005	0.000
z	0.000	0.000	5.593

<r²>	85.418
(<r²>)^1/2	9.242

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

using model chemistry: M06-2X/6-311G*

States and conformations

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