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	hartrees
Energy at 0K	-218.391513
Energy at 298.15K	-218.399308
HF Energy	-218.391513
Nuclear repulsion energy	132.196398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3010	39.57
2	A'	3131	3002	59.39
3	A'	3054	2928	9.60
4	A'	3035	2909	43.33
5	A'	1538	1474	4.39
6	A'	1518	1456	3.85
7	A'	1437	1377	11.34
8	A'	1387	1329	16.55
9	A'	1206	1157	8.97
10	A'	1164	1116	44.90
11	A'	961	922	41.41
12	A'	827	792	6.88
13	A'	463	444	2.71
14	A'	337	323	0.85
15	A'	257	247	0.09
16	A"	3137	3008	20.75
17	A"	3125	2996	0.43
18	A"	3050	2924	18.76
19	A"	1514	1451	0.00
20	A"	1507	1445	0.02
21	A"	1428	1369	20.11
22	A"	1386	1328	7.93
23	A"	1165	1117	13.97
24	A"	945	906	0.12
25	A"	929	890	0.36
26	A"	393	377	6.34
27	A"	220	211	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.283	0.245	0.000
F2	-0.880	1.038	0.000
H3	1.134	0.939	0.000
C4	0.283	-0.583	1.275
C5	0.283	-0.583	-1.275
H6	1.198	-1.181	1.347
H7	1.198	-1.181	-1.347
H8	0.225	0.068	2.152
H9	0.225	0.068	-2.152
H10	-0.577	-1.260	1.287
H11	-0.577	-1.260	-1.287

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4082	1.0980	1.5208	1.5208	2.1644	2.1644	2.1598	2.1598	2.1591	2.1591
F2	1.4082		2.0169	2.3686	2.3686	3.3253	3.3253	2.6063	2.6063	2.6517	2.6517
H3	1.0980	2.0169		2.1607	2.1607	2.5128	2.5128	2.4932	2.4932	3.0693	3.0693
C4	1.5208	2.3686	2.1607		2.5509	1.0948	2.8409	1.0933	3.4890	1.0944	2.7863
C5	1.5208	2.3686	2.1607	2.5509		2.8409	1.0948	3.4890	1.0933	2.7863	1.0944
H6	2.1644	3.3253	2.5128	1.0948	2.8409		2.6940	1.7760	3.8403	1.7770	3.1768
H7	2.1644	3.3253	2.5128	2.8409	1.0948	2.6940		3.8403	1.7760	3.1768	1.7770
H8	2.1598	2.6063	2.4932	1.0933	3.4890	1.7760	3.8403		4.3035	1.7759	3.7724
H9	2.1598	2.6063	2.4932	3.4890	1.0933	3.8403	1.7760	4.3035		3.7724	1.7759
H10	2.1591	2.6517	3.0693	1.0944	2.7863	1.7770	3.1768	1.7759	3.7724		2.5739
H11	2.1591	2.6517	3.0693	2.7863	1.0944	3.1768	1.7770	3.7724	1.7759	2.5739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.351	C1	C4	H10	110.227
C1	C5	H7	110.624	C1	C5	H9	110.351
C1	C5	H11	110.227	F2	C1	H3	106.514
F2	C1	C4	107.864	F2	C1	C5	107.864
H3	C1	C4	110.140	H3	C1	C5	110.140
C4	C1	C5	113.996	H7	C5	H9	108.515
H7	C5	H11	108.523	H8	C4	H10	108.540
H9	C5	H11	108.540

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

using model chemistry: TPSSh/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	0.217
2	F	-0.331
3	H	0.106
4	C	-0.384
5	C	-0.384
6	H	0.119
7	H	0.119
8	H	0.136
9	H	0.136
10	H	0.132
11	H	0.132

	x	y	z	Total
	1.333	-1.059	0.000	1.703
CHELPG
AIM
ESP

	x	y	z
x	4.903	-0.044	0.000
y	-0.044	4.953	0.000
z	0.000	0.000	5.470

<r²>	85.844
(<r²>)^1/2	9.265

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

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

States and conformations

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