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	hartrees
Energy at 0K	-218.348053
Energy at 298.15K	-218.355774
HF Energy	-218.348053
Nuclear repulsion energy	131.057614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3033	3026	52.53
2	A'	3025	3018	63.89
3	A'	2964	2956	12.15
4	A'	2947	2940	34.48
5	A'	1491	1488	8.99
6	A'	1471	1467	6.77
7	A'	1393	1390	12.63
8	A'	1338	1334	12.19
9	A'	1170	1167	7.57
10	A'	1112	1110	35.19
11	A'	892	890	51.05
12	A'	787	785	15.90
13	A'	464	462	2.98
14	A'	344	343	0.95
15	A'	250	249	0.17
16	A"	3030	3022	24.11
17	A"	3017	3009	0.60
18	A"	2958	2951	18.46
19	A"	1468	1464	0.00
20	A"	1459	1456	0.40
21	A"	1379	1376	23.86
22	A"	1346	1343	9.01
23	A"	1125	1122	16.14
24	A"	925	923	0.53
25	A"	909	906	0.01
26	A"	393	392	7.01
27	A"	212	212	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.288	0.238	0.000
F2	-0.893	1.049	0.000
H3	1.133	0.948	0.000
C4	0.288	-0.587	1.286
C5	0.288	-0.587	-1.286
H6	1.208	-1.186	1.368
H7	1.208	-1.186	-1.368
H8	0.227	0.071	2.164
H9	0.227	0.071	-2.164
H10	-0.574	-1.270	1.307
H11	-0.574	-1.270	-1.307

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4326	1.1033	1.5279	1.5279	2.1784	2.1784	2.1708	2.1708	2.1739	2.1739
F2	1.4326		2.0281	2.3928	2.3928	3.3587	3.3587	2.6252	2.6252	2.6815	2.6815
H3	1.1033	2.0281		2.1732	2.1732	2.5357	2.5357	2.5039	2.5039	3.0887	3.0887
C4	1.5279	2.3928	2.1732		2.5718	1.1008	2.8720	1.0988	3.5123	1.0999	2.8165
C5	1.5279	2.3928	2.1732	2.5718		2.8720	1.1008	3.5123	1.0988	2.8165	1.0999
H6	2.1784	3.3587	2.5357	1.1008	2.8720		2.7360	1.7821	3.8749	1.7848	3.2152
H7	2.1784	3.3587	2.5357	2.8720	1.1008	2.7360		3.8749	1.7821	3.2152	1.7848
H8	2.1708	2.6252	2.5039	1.0988	3.5123	1.7821	3.8749		4.3271	1.7817	3.8060
H9	2.1708	2.6252	2.5039	3.5123	1.0988	3.8749	1.7821	4.3271		3.8060	1.7817
H10	2.1739	2.6815	3.0887	1.0999	2.8165	1.7848	3.2152	1.7817	3.8060		2.6139
H11	2.1739	2.6815	3.0887	2.8165	1.0999	3.2152	1.7848	3.8060	1.7817	2.6139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.407	C1	C4	H10	110.580
C1	C5	H7	110.889	C1	C5	H9	110.407
C1	C5	H11	110.580	F2	C1	H3	105.472
F2	C1	C4	107.808	F2	C1	C5	107.808
H3	C1	C4	110.328	H3	C1	C5	110.328
C4	C1	C5	114.627	H7	C5	H9	108.229
H7	C5	H11	108.390	H8	C4	H10	108.258
H9	C5	H11	108.258

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

using model chemistry: BLYP/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	0.100
2	F	-0.277
3	H	0.173
4	C	-0.601
5	C	-0.601
6	H	0.192
7	H	0.192
8	H	0.209
9	H	0.209
10	H	0.201
11	H	0.201

	x	y	z	Total
	1.466	-1.117	0.000	1.843
CHELPG
AIM
ESP

	x	y	z
x	5.265	-0.050	0.000
y	-0.050	5.364	0.000
z	0.000	0.000	6.048

<r²>	87.687
(<r²>)^1/2	9.364

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

using model chemistry: BLYP/6-311G*

States and conformations

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