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	hartrees
Energy at 0K	-218.160949
Energy at 298.15K	-218.168838
HF Energy	-217.962660
Nuclear repulsion energy	132.576846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3182	30.98
2	A'	3176	3176	47.01
3	A'	3092	3092	6.72
4	A'	3081	3081	39.48
5	A'	1549	1549	4.65
6	A'	1529	1529	4.22
7	A'	1453	1453	14.63
8	A'	1409	1409	17.48
9	A'	1225	1225	9.33
10	A'	1183	1183	43.72
11	A'	979	979	38.37
12	A'	841	841	7.85
13	A'	480	480	2.89
14	A'	353	353	0.92
15	A'	268	268	0.12
16	A"	3180	3180	16.53
17	A"	3169	3169	0.09
18	A"	3088	3088	13.57
19	A"	1524	1524	0.00
20	A"	1518	1518	0.00
21	A"	1448	1448	25.76
22	A"	1406	1406	4.27
23	A"	1185	1185	12.63
24	A"	962	962	0.03
25	A"	947	947	0.39
26	A"	407	407	6.71
27	A"	227	227	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.283	0.244	0.000
F2	-0.878	1.036	0.000
H3	1.133	0.935	0.000
C4	0.283	-0.582	1.271
C5	0.283	-0.582	-1.271
H6	1.192	-1.181	1.341
H7	1.192	-1.181	-1.341
H8	0.227	0.067	2.145
H9	0.227	0.067	-2.145
H10	-0.578	-1.254	1.283
H11	-0.578	-1.254	-1.283

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4050	1.0953	1.5159	1.5159	2.1578	2.1578	2.1532	2.1532	2.1511	2.1511
F2	1.4050		2.0131	2.3623	2.3623	3.3165	3.3165	2.6001	2.6001	2.6412	2.6412
H3	1.0953	2.0131		2.1538	2.1538	2.5056	2.5056	2.4848	2.4848	3.0591	3.0591
C4	1.5159	2.3623	2.1538		2.5426	1.0916	2.8302	1.0903	3.4782	1.0915	2.7774
C5	1.5159	2.3623	2.1538	2.5426		2.8302	1.0916	3.4782	1.0903	2.7774	1.0915
H6	2.1578	3.3165	2.5056	1.0916	2.8302		2.6816	1.7716	3.8268	1.7726	3.1657
H7	2.1578	3.3165	2.5056	2.8302	1.0916	2.6816		3.8268	1.7716	3.1657	1.7726
H8	2.1532	2.6001	2.4848	1.0903	3.4782	1.7716	3.8268		4.2905	1.7710	3.7608
H9	2.1532	2.6001	2.4848	3.4782	1.0903	3.8268	1.7716	4.2905		3.7608	1.7710
H10	2.1511	2.6412	3.0591	1.0915	2.7774	1.7726	3.1657	1.7710	3.7608		2.5654
H11	2.1511	2.6412	3.0591	2.7774	1.0915	3.1657	1.7726	3.7608	1.7710	2.5654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.349	C1	C4	H10	110.113
C1	C5	H7	110.638	C1	C5	H9	110.349
C1	C5	H11	110.113	F2	C1	H3	106.586
F2	C1	C4	107.883	F2	C1	C5	107.883
H3	C1	C4	110.093	H3	C1	C5	110.093
C4	C1	C5	113.988	H7	C5	H9	108.576
H7	C5	H11	108.575	H8	C4	H10	108.532
H9	C5	H11	108.532

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	0.254
2	F	-0.348
3	H	0.088
4	C	-0.343
5	C	-0.343
6	H	0.106
7	H	0.106
8	H	0.122
9	H	0.122
10	H	0.118
11	H	0.118

	x	y	z	Total
	1.359	-1.085	0.000	1.739
CHELPG
AIM
ESP

	x	y	z
x	4.795	-0.040	0.000
y	-0.040	4.823	0.000
z	0.000	0.000	5.286

<r²>	85.576
(<r²>)^1/2	9.251

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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