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	hartrees
Energy at 0K	-218.045388
Energy at 298.15K	-218.053224
HF Energy	-217.197085
Nuclear repulsion energy	128.090313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3125	3028
2	A'	3056	2962
3	A'	3041	2947
4	A'	3037	2943
5	A'	1526	1479
6	A'	1514	1468
7	A'	1499	1453
8	A'	1437	1393
9	A'	1414	1371
10	A'	1335	1294
11	A'	1146	1110
12	A'	1080	1046
13	A'	1047	1014
14	A'	906	878
15	A'	452	438
16	A'	265	257
17	A"	3119	3023
18	A"	3100	3005
19	A"	3083	2988
20	A"	1509	1462
21	A"	1324	1283
22	A"	1277	1238
23	A"	1198	1162
24	A"	896	869
25	A"	765	742
26	A"	228	221
27	A"	129	125

Atom	x (Å)	y (Å)	z (Å)
C1	0.128	-0.775	0.000
C2	0.000	0.733	0.000
C3	-1.469	1.156	0.000
F4	1.471	-1.147	0.000
H5	-0.338	-1.209	0.889
H6	-0.338	-1.209	-0.889
H7	0.511	1.131	-0.880
H8	0.511	1.131	0.880
H9	-1.563	2.242	0.000
H10	-1.989	0.776	-0.883
H11	-1.989	0.776	0.883

	C1	C2	C3	F4	H5	H6	H7	H8	H9	H10	H11
C1		1.5134	2.5061	1.3930	1.0936	1.0936	2.1342	2.1342	3.4592	2.7693	2.7693
C2	1.5134		1.5288	2.3865	2.1623	2.1623	1.0928	1.0928	2.1729	2.1766	2.1766
C3	2.5061	1.5288		3.7342	2.7685	2.7685	2.1672	2.1672	1.0907	1.0928	1.0928
F4	1.3930	2.3865	3.7342		2.0161	2.0161	2.6234	2.6234	4.5484	4.0555	4.0555
H5	1.0936	2.1623	2.7685	2.0161		1.7782	3.0540	2.4896	3.7690	3.1320	2.5824
H6	1.0936	2.1623	2.7685	2.0161	1.7782		2.4896	3.0540	3.7690	2.5824	3.1320
H7	2.1342	1.0928	2.1672	2.6234	3.0540	2.4896		1.7595	2.5122	2.5254	3.0798
H8	2.1342	1.0928	2.1672	2.6234	2.4896	3.0540	1.7595		2.5122	3.0798	2.5254
H9	3.4592	2.1729	1.0907	4.5484	3.7690	3.7690	2.5122	2.5122		1.7639	1.7639
H10	2.7693	2.1766	1.0928	4.0555	3.1320	2.5824	2.5254	3.0798	1.7639		1.7661
H11	2.7693	2.1766	1.0928	4.0555	2.5824	3.1320	3.0798	2.5254	1.7639	1.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	110.929	C1	C2	H7	108.879
C1	C2	H8	108.879	C2	C1	F4	110.325
C2	C1	H5	111.061	C2	C1	H6	111.061
C2	C3	H9	110.995	C2	C3	H10	111.162
C2	C3	H11	111.162	C3	C2	H7	110.414
C3	C2	H8	110.414	F4	C1	H5	107.743
F4	C1	H6	107.743	H5	C1	H6	108.786
H7	C2	H8	107.229	H9	C3	H10	107.776
H9	C3	H11	107.776	H10	C3	H11	107.811

All results from a given calculation for CH₂FCH₂CH₃ (1-Fluoropropane)

using model chemistry: MP4/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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All results from a given calculation for CH2FCH2CH3 (1-Fluoropropane)

using model chemistry: MP4/cc-pVTZ

States and conformations

All results from a given calculation for CH₂FCH₂CH₃ (1-Fluoropropane)