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	hartrees
Energy at 0K	-217.093681
Energy at 298.15K	-217.101496
HF Energy	-217.093681
Nuclear repulsion energy	132.101230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3038	32.97
2	A'	3173	3036	25.95
3	A'	3091	2957	5.95
4	A'	3081	2948	30.64
5	A'	1577	1508	12.67
6	A'	1554	1487	7.89
7	A'	1470	1406	16.97
8	A'	1406	1345	20.32
9	A'	1237	1184	17.05
10	A'	1194	1143	33.39
11	A'	986	943	20.28
12	A'	838	802	2.53
13	A'	458	438	2.12
14	A'	343	328	1.67
15	A'	256	245	0.13
16	A"	3172	3035	10.93
17	A"	3167	3030	1.96
18	A"	3088	2955	10.08
19	A"	1551	1484	0.44
20	A"	1540	1474	1.05
21	A"	1453	1390	21.86
22	A"	1417	1356	17.15
23	A"	1177	1127	19.29
24	A"	984	942	1.59
25	A"	961	920	0.28
26	A"	367	351	6.59
27	A"	217	208	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.290	0.255	0.000
F2	-0.896	1.043	0.000
H3	1.149	0.932	0.000
C4	0.290	-0.589	1.263
C5	0.290	-0.589	-1.263
H6	1.199	-1.190	1.319
H7	1.199	-1.190	-1.319
H8	0.230	0.051	2.145
H9	0.230	0.051	-2.145
H10	-0.577	-1.253	1.256
H11	-0.577	-1.253	-1.256

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4245	1.0945	1.5188	1.5188	2.1574	2.1574	2.1555	2.1555	2.1454	2.1454
F2	1.4245		2.0488	2.3805	2.3805	3.3346	3.3346	2.6182	2.6182	2.6372	2.6372
H3	1.0945	2.0488		2.1558	2.1558	2.4993	2.4993	2.4944	2.4944	3.0552	3.0552
C4	1.5188	2.3805	2.1558		2.5258	1.0915	2.8027	1.0914	3.4680	1.0922	2.7454
C5	1.5188	2.3805	2.1558	2.5258		2.8027	1.0915	3.4680	1.0914	2.7454	1.0922
H6	2.1574	3.3346	2.4993	1.0915	2.8027		2.6383	1.7780	3.8052	1.7783	3.1287
H7	2.1574	3.3346	2.4993	2.8027	1.0915	2.6383		3.8052	1.7780	3.1287	1.7783
H8	2.1555	2.6182	2.4944	1.0914	3.4680	1.7780	3.8052		4.2900	1.7730	3.7308
H9	2.1555	2.6182	2.4944	3.4680	1.0914	3.8052	1.7780	4.2900		3.7308	1.7730
H10	2.1454	2.6372	3.0552	1.0922	2.7454	1.7783	3.1287	1.7730	3.7308		2.5117
H11	2.1454	2.6372	3.0552	2.7454	1.0922	3.1287	1.7783	3.7308	1.7730	2.5117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.266	C1	C4	H10	109.424
C1	C5	H7	110.413	C1	C5	H9	110.266
C1	C5	H11	109.424	F2	C1	H3	108.135
F2	C1	C4	107.913	F2	C1	C5	107.913
H3	C1	C4	110.109	H3	C1	C5	110.109
C4	C1	C5	112.516	H7	C5	H9	109.078
H7	C5	H11	109.046	H8	C4	H10	108.578
H9	C5	H11	108.578

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

using model chemistry: B1B95/3-21G

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	0.052
2	F	-0.314
3	H	0.208
4	C	-0.629
5	C	-0.629
6	H	0.206
7	H	0.206
8	H	0.227
9	H	0.227
10	H	0.222
11	H	0.222

	x	y	z	Total
	1.463	-1.141	0.000	1.855
CHELPG
AIM
ESP

	x	y	z
x	4.469	-0.061	0.000
y	-0.061	4.439	0.000
z	0.000	0.000	4.869

<r²>	85.706
(<r²>)^1/2	9.258

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

using model chemistry: B1B95/3-21G

States and conformations

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