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	hartrees
Energy at 0K	-218.308391
Energy at 298.15K	-218.316233
HF Energy	-218.308391
Nuclear repulsion energy	132.574698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3021	27.17
2	A'	3148	3017	46.72
3	A'	3062	2935	7.77
4	A'	3040	2913	40.74
5	A'	1520	1457	5.37
6	A'	1500	1437	5.20
7	A'	1424	1365	19.44
8	A'	1387	1329	14.59
9	A'	1202	1152	13.28
10	A'	1173	1124	53.43
11	A'	972	932	33.44
12	A'	836	801	5.95
13	A'	475	455	2.58
14	A'	349	335	1.06
15	A'	262	252	0.08
16	A"	3151	3020	15.86
17	A"	3141	3010	0.00
18	A"	3058	2931	14.98
19	A"	1494	1431	0.00
20	A"	1488	1426	0.00
21	A"	1420	1361	31.23
22	A"	1376	1319	2.94
23	A"	1170	1121	13.61
24	A"	945	906	0.02
25	A"	930	891	0.86
26	A"	405	388	6.12
27	A"	222	213	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.243	0.000
F2	-0.868	1.043	0.000
H3	1.139	0.926	0.000
C4	0.278	-0.584	1.271
C5	0.278	-0.584	-1.271
H6	1.188	-1.188	1.340
H7	1.188	-1.188	-1.340
H8	0.228	0.065	2.149
H9	0.228	0.065	-2.149
H10	-0.585	-1.257	1.288
H11	-0.585	-1.257	-1.288

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3982	1.0992	1.5162	1.5162	2.1613	2.1613	2.1573	2.1573	2.1570	2.1570
F2	1.3982		2.0110	2.3617	2.3617	3.3171	3.3171	2.6034	2.6034	2.6509	2.6509
H3	1.0992	2.0110		2.1535	2.1535	2.5037	2.5037	2.4884	2.4884	3.0655	3.0655
C4	1.5162	2.3617	2.1535		2.5418	1.0944	2.8301	1.0933	3.4816	1.0945	2.7833
C5	1.5162	2.3617	2.1535	2.5418		2.8301	1.0944	3.4816	1.0933	2.7833	1.0945
H6	2.1613	3.3171	2.5037	1.0944	2.8301		2.6798	1.7743	3.8298	1.7755	3.1712
H7	2.1613	3.3171	2.5037	2.8301	1.0944	2.6798		3.8298	1.7743	3.1712	1.7755
H8	2.1573	2.6034	2.4884	1.0933	3.4816	1.7743	3.8298		4.2987	1.7744	3.7714
H9	2.1573	2.6034	2.4884	3.4816	1.0933	3.8298	1.7743	4.2987		3.7714	1.7744
H10	2.1570	2.6509	3.0655	1.0945	2.7833	1.7755	3.1712	1.7744	3.7714		2.5764
H11	2.1570	2.6509	3.0655	2.7833	1.0945	3.1712	1.7755	3.7714	1.7744	2.5764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.469	C1	C4	H10	110.379
C1	C5	H7	110.725	C1	C5	H9	110.469
C1	C5	H11	110.379	F2	C1	H3	106.647
F2	C1	C4	108.187	F2	C1	C5	108.187
H3	C1	C4	109.818	H3	C1	C5	109.818
C4	C1	C5	113.904	H7	C5	H9	108.389
H7	C5	H11	108.411	H8	C4	H10	108.394
H9	C5	H11	108.394

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

using model chemistry: B3PW91/6-31G**

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	0.214
2	F	-0.330
3	H	0.110
4	C	-0.408
5	C	-0.408
6	H	0.128
7	H	0.128
8	H	0.144
9	H	0.144
10	H	0.140
11	H	0.140

	x	y	z	Total
	1.318	-1.083	0.000	1.706
CHELPG
AIM
ESP

	x	y	z
x	4.861	-0.024	0.000
y	-0.024	4.909	0.000
z	0.000	0.000	5.414

<r²>	85.431
(<r²>)^1/2	9.243

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

using model chemistry: B3PW91/6-31G**

States and conformations

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