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	hartrees
Energy at 0K	-215.437987
Energy at 298.15K	-215.445480
HF Energy	-215.437987
Nuclear repulsion energy	130.351494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3532	3119	1.00
2	A'	3531	3118	0.61
3	A'	3352	2960	0.26
4	A'	3290	2905	16.00
5	A'	1691	1493	3.22
6	A'	1680	1484	4.29
7	A'	1570	1386	7.06
8	A'	1502	1327	25.65
9	A'	1304	1151	18.42
10	A'	1268	1119	13.50
11	A'	1058	934	0.82
12	A'	886	782	0.25
13	A'	484	427	0.43
14	A'	347	306	0.39
15	A'	211	186	0.01
16	A"	3531	3118	0.02
17	A"	3529	3116	0.31
18	A"	3352	2960	0.31
19	A"	1679	1483	0.24
20	A"	1674	1478	0.38
21	A"	1555	1373	5.29
22	A"	1474	1301	16.59
23	A"	1218	1075	12.54
24	A"	1021	902	0.01
25	A"	1001	884	1.03
26	A"	398	352	1.66
27	A"	178	157	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.266	0.259	0.000
F2	-0.843	1.120	0.000
H3	1.201	0.869	0.000
C4	0.266	-0.623	1.286
C5	0.266	-0.623	-1.286
H6	1.161	-1.256	1.306
H7	1.161	-1.256	-1.306
H8	0.263	0.010	2.182
H9	0.263	0.010	-2.182
H10	-0.621	-1.268	1.308
H11	-0.621	-1.268	-1.308

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4039	1.1168	1.5593	1.5593	2.1911	2.1911	2.1957	2.1957	2.1978	2.1978
F2	1.4039		2.0597	2.4336	2.4336	3.3715	3.3715	2.6861	2.6861	2.7323	2.7323
H3	1.1168	2.0597		2.1805	2.1805	2.4939	2.4939	2.5255	2.5255	3.0983	3.0983
C4	1.5593	2.4336	2.1805		2.5714	1.0964	2.8137	1.0969	3.5245	1.0967	2.8162
C5	1.5593	2.4336	2.1805	2.5714		2.8137	1.0964	3.5245	1.0969	2.8162	1.0967
H6	2.1911	3.3715	2.4939	1.0964	2.8137		2.6113	1.7820	3.8169	1.7824	3.1638
H7	2.1911	3.3715	2.4939	2.8137	1.0964	2.6113		3.8169	1.7820	3.1638	1.7824
H8	2.1957	2.6861	2.5255	1.0969	3.5245	1.7820	3.8169		4.3631	1.7823	3.8201
H9	2.1957	2.6861	2.5255	3.5245	1.0969	3.8169	1.7820	4.3631		3.8201	1.7823
H10	2.1978	2.7323	3.0983	1.0967	2.8162	1.7824	3.1638	1.7823	3.8201		2.6166
H11	2.1978	2.7323	3.0983	2.8162	1.0967	3.1638	1.7824	3.8201	1.7823	2.6166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.295	C1	C4	H10	110.467
C1	C5	H7	109.960	C1	C5	H9	110.295
C1	C5	H11	110.467	F2	C1	H3	109.065
F2	C1	C4	110.313	F2	C1	C5	110.313
H3	C1	C4	107.995	H3	C1	C5	107.995
C4	C1	C5	111.079	H7	C5	H9	108.669
H7	C5	H11	108.724	H8	C4	H10	108.679
H9	C5	H11	108.679

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

using model chemistry: B1B95/STO-3G

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	0.053
2	F	-0.120
3	H	0.065
4	C	-0.240
5	C	-0.240
6	H	0.080
7	H	0.080
8	H	0.081
9	H	0.081
10	H	0.080
11	H	0.080

	x	y	z	Total
	0.777	-0.700	0.000	1.046
CHELPG
AIM
ESP

	x	y	z
x	2.536	-0.137	0.000
y	-0.137	2.510	0.000
z	0.000	0.000	2.654

<r²>	87.042
(<r²>)^1/2	9.330

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

using model chemistry: B1B95/STO-3G

States and conformations

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