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	hartrees
Energy at 0K	-217.884053
Energy at 298.15K	-217.891850
HF Energy	-217.147263
Nuclear repulsion energy	131.292411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3136	3058
2	A'	3124	3046
3	A'	3060	2984
4	A'	3036	2960
5	A'	1492	1455
6	A'	1473	1437
7	A'	1400	1365
8	A'	1343	1309
9	A'	1190	1161
10	A'	1121	1094
11	A'	939	916
12	A'	809	789
13	A'	468	456
14	A'	348	340
15	A'	255	249
16	A"	3133	3056
17	A"	3117	3040
18	A"	3033	2957
19	A"	1469	1432
20	A"	1464	1428
21	A"	1405	1370
22	A"	1359	1325
23	A"	1167	1138
24	A"	932	908
25	A"	919	896
26	A"	400	390
27	A"	210	205

Atom	x (Å)	y (Å)	z (Å)
C1	0.289	0.243	0.000
F2	-0.898	1.043	0.000
H3	1.128	0.963	0.000
C4	0.289	-0.586	1.278
C5	0.289	-0.586	-1.278
H6	1.216	-1.184	1.338
H7	1.216	-1.184	-1.338
H8	0.234	0.068	2.163
H9	0.234	0.068	-2.163
H10	-0.576	-1.272	1.285
H11	-0.576	-1.272	-1.285

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4315	1.1053	1.5234	1.5234	2.1646	2.1646	2.1708	2.1708	2.1667	2.1667
F2	1.4315		2.0273	2.3869	2.3869	3.3496	3.3496	2.6291	2.6291	2.6672	2.6672
H3	1.1053	2.0273		2.1764	2.1764	2.5313	2.5313	2.5058	2.5058	3.0901	3.0901
C4	1.5234	2.3869	2.1764		2.5555	1.1046	2.8385	1.1021	3.5029	1.1037	2.7904
C5	1.5234	2.3869	2.1764	2.5555		2.8385	1.1046	3.5029	1.1021	2.7904	1.1037
H6	2.1646	3.3496	2.5313	1.1046	2.8385		2.6754	1.7924	3.8454	1.7951	3.1778
H7	2.1646	3.3496	2.5313	2.8385	1.1046	2.6754		3.8454	1.7924	3.1778	1.7951
H8	2.1708	2.6291	2.5058	1.1021	3.5029	1.7924	3.8454		4.3261	1.7949	3.7869
H9	2.1708	2.6291	2.5058	3.5029	1.1021	3.8454	1.7924	4.3261		3.7869	1.7949
H10	2.1667	2.6672	3.0901	1.1037	2.7904	1.7951	3.1778	1.7949	3.7869		2.5702
H11	2.1667	2.6672	3.0901	2.7904	1.1037	3.1778	1.7951	3.7869	1.7949	2.5702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.521	C1	C4	H10	110.098
C1	C5	H7	109.885	C1	C5	H9	110.521
C1	C5	H11	110.098	F2	C1	H3	105.371
F2	C1	C4	107.719	F2	C1	C5	107.719
H3	C1	C4	110.772	H3	C1	C5	110.772
C4	C1	C5	114.021	H7	C5	H9	108.627
H7	C5	H11	108.754	H8	C4	H10	108.913
H9	C5	H11	108.913

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

States and conformations

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