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	hartrees
Energy at 0K	-217.204479
Energy at 298.15K	-217.212571
HF Energy	-217.204479
Nuclear repulsion energy	133.659022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3241	2949	75.66	65.76	0.48	0.64
2	A'	3234	2943	63.29	80.94	0.75	0.86
3	A'	3183	2897	17.30	168.86	0.30	0.46
4	A'	3168	2883	14.75	237.01	0.00	0.01
5	A'	1626	1480	5.05	1.55	0.73	0.84
6	A'	1606	1462	4.89	7.27	0.75	0.86
7	A'	1547	1408	20.47	2.66	0.39	0.56
8	A'	1500	1365	12.98	4.94	0.63	0.77
9	A'	1298	1182	11.34	2.49	0.14	0.25
10	A'	1262	1149	62.79	2.18	0.75	0.86
11	A'	1044	950	61.52	6.25	0.58	0.74
12	A'	877	799	9.67	10.04	0.12	0.21
13	A'	513	467	3.71	0.44	0.06	0.12
14	A'	376	342	0.79	0.20	0.34	0.50
15	A'	275	250	0.17	0.01	0.74	0.85
16	A"	3235	2944	28.68	55.58	0.75	0.86
17	A"	3223	2933	0.19	7.07	0.75	0.86
18	A"	3162	2878	19.62	2.17	0.75	0.86
19	A"	1603	1459	0.00	8.05	0.75	0.86
20	A"	1597	1453	0.08	5.85	0.75	0.86
21	A"	1545	1406	24.43	0.12	0.75	0.86
22	A"	1496	1361	2.74	1.50	0.75	0.86
23	A"	1244	1132	15.14	4.12	0.75	0.86
24	A"	1014	923	0.05	2.11	0.75	0.86
25	A"	1005	914	0.12	0.95	0.75	0.86
26	A"	443	403	7.99	0.75	0.75	0.86
27	A"	228	208	0.00	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.243	0.000
F2	-0.854	1.033	0.000
H3	1.118	0.922	0.000
C4	0.273	-0.580	1.269
C5	0.273	-0.580	-1.269
H6	1.174	-1.180	1.329
H7	1.174	-1.180	-1.329
H8	0.232	0.065	2.136
H9	0.232	0.065	-2.136
H10	-0.584	-1.242	1.291
H11	-0.584	-1.242	-1.291

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3762	1.0837	1.5126	1.5126	2.1454	2.1454	2.1442	2.1442	2.1466	2.1466
F2	1.3762		1.9745	2.3415	2.3415	3.2825	3.2825	2.5845	2.5845	2.6296	2.6296
H3	1.0837	1.9745		2.1403	2.1403	2.4878	2.4878	2.4665	2.4665	3.0411	3.0411
C4	1.5126	2.3415	2.1403		2.5374	1.0838	2.8140	1.0824	3.4661	1.0835	2.7794
C5	1.5126	2.3415	2.1403	2.5374		2.8140	1.0838	3.4661	1.0824	2.7794	1.0835
H6	2.1454	3.2825	2.4878	1.0838	2.8140		2.6578	1.7580	3.8009	1.7600	3.1559
H7	2.1454	3.2825	2.4878	2.8140	1.0838	2.6578		3.8009	1.7580	3.1559	1.7600
H8	2.1442	2.5845	2.4665	1.0824	3.4661	1.7580	3.8009		4.2729	1.7580	3.7580
H9	2.1442	2.5845	2.4665	3.4661	1.0824	3.8009	1.7580	4.2729		3.7580	1.7580
H10	2.1466	2.6296	3.0411	1.0835	2.7794	1.7600	3.1559	1.7580	3.7580		2.5819
H11	2.1466	2.6296	3.0411	2.7794	1.0835	3.1559	1.7600	3.7580	1.7580	2.5819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.344	C1	C4	H10	110.470
C1	C5	H7	110.353	C1	C5	H9	110.344
C1	C5	H11	110.470	F2	C1	H3	106.164
F2	C1	C4	108.206	F2	C1	C5	108.206
H3	C1	C4	109.955	H3	C1	C5	109.955
C4	C1	C5	114.025	H7	C5	H9	108.499
H7	C5	H11	108.596	H8	C4	H10	108.519
H9	C5	H11	108.519

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

using model chemistry: HF/cc-pVTZ

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	0.252
2	F	-0.315
3	H	0.068
4	C	-0.292
5	C	-0.292
6	H	0.086
7	H	0.086
8	H	0.109
9	H	0.109
10	H	0.095
11	H	0.095

	x	y	z	Total
	1.557	-1.211	0.000	1.972
CHELPG
AIM
ESP

	x	y	z
x	5.087	-0.037	0.000
y	-0.037	5.163	0.000
z	0.000	0.000	5.730

<r²>	84.858
(<r²>)^1/2	9.212

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

using model chemistry: HF/cc-pVTZ

States and conformations

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