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	hartrees
Energy at 0K	-218.292393
Energy at 298.15K	-218.300230
HF Energy	-218.292393
Nuclear repulsion energy	132.663541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3014	21.45
2	A'	3158	3007	42.85
3	A'	3089	2941	28.92
4	A'	3073	2926	6.24
5	A'	1520	1447	8.13
6	A'	1497	1425	7.03
7	A'	1426	1358	26.05
8	A'	1377	1311	16.18
9	A'	1205	1148	15.77
10	A'	1174	1118	60.24
11	A'	978	931	40.30
12	A'	843	803	9.74
13	A'	480	457	3.46
14	A'	357	340	0.86
15	A'	254	242	0.06
16	A"	3164	3012	14.21
17	A"	3151	3001	0.05
18	A"	3070	2924	13.19
19	A"	1494	1423	0.08
20	A"	1486	1415	0.00
21	A"	1427	1359	35.27
22	A"	1374	1309	1.21
23	A"	1177	1121	11.77
24	A"	946	900	0.05
25	A"	934	889	0.78
26	A"	416	396	7.14
27	A"	203	193	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.282	0.246	0.000
F2	-0.878	1.034	0.000
H3	1.123	0.951	0.000
C4	0.282	-0.582	1.268
C5	0.282	-0.582	-1.268
H6	1.194	-1.184	1.327
H7	1.194	-1.184	-1.327
H8	0.233	0.063	2.148
H9	0.233	0.063	-2.148
H10	-0.581	-1.254	1.276
H11	-0.581	-1.254	-1.276

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4023	1.0967	1.5150	1.5150	2.1534	2.1534	2.1566	2.1566	2.1504	2.1504
F2	1.4023		2.0026	2.3595	2.3595	3.3124	3.3124	2.6059	2.6059	2.6362	2.6362
H3	1.0967	2.0026		2.1598	2.1598	2.5143	2.5143	2.4890	2.4890	3.0646	3.0646
C4	1.5150	2.3595	2.1598		2.5366	1.0939	2.8154	1.0924	3.4773	1.0940	2.7697
C5	1.5150	2.3595	2.1598	2.5366		2.8154	1.0939	3.4773	1.0924	2.7697	1.0940
H6	2.1534	3.3124	2.5143	1.0939	2.8154		2.6531	1.7763	3.8150	1.7774	3.1513
H7	2.1534	3.3124	2.5143	2.8154	1.0939	2.6531		3.8150	1.7763	3.1513	1.7774
H8	2.1566	2.6059	2.4890	1.0924	3.4773	1.7763	3.8150		4.2965	1.7767	3.7580
H9	2.1566	2.6059	2.4890	3.4773	1.0924	3.8150	1.7763	4.2965		3.7580	1.7767
H10	2.1504	2.6362	3.0646	1.0940	2.7697	1.7774	3.1513	1.7767	3.7580		2.5523
H11	2.1504	2.6362	3.0646	2.7697	1.0940	3.1513	1.7774	3.7580	1.7767	2.5523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.562	C1	C4	H10	109.975
C1	C5	H7	110.214	C1	C5	H9	110.562
C1	C5	H11	109.975	F2	C1	H3	105.874
F2	C1	C4	107.893	F2	C1	C5	107.893
H3	C1	C4	110.560	H3	C1	C5	110.560
C4	C1	C5	113.686	H7	C5	H9	108.674
H7	C5	H11	108.656	H8	C4	H10	108.712
H9	C5	H11	108.712

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	0.202
2	F	-0.327
3	H	0.140
4	C	-0.513
5	C	-0.513
6	H	0.161
7	H	0.161
8	H	0.175
9	H	0.175
10	H	0.169
11	H	0.169

	x	y	z	Total
	1.658	-1.283	0.000	2.096
CHELPG
AIM
ESP

	x	y	z
x	5.377	-0.061	0.000
y	-0.061	5.428	0.000
z	0.000	0.000	5.890

<r²>	85.761
(<r²>)^1/2	9.261

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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