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	hartrees
Energy at 0K	-217.810063
Energy at 298.15K	-217.817909
HF Energy	-217.125894
Nuclear repulsion energy	127.236141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3144	3040
2	A'	3063	2961
3	A'	3049	2948
4	A'	3041	2941
5	A'	1513	1463
6	A'	1501	1451
7	A'	1485	1436
8	A'	1439	1391
9	A'	1411	1364
10	A'	1326	1282
11	A'	1142	1104
12	A'	1090	1054
13	A'	1058	1023
14	A'	904	874
15	A'	450	435
16	A'	263	254
17	A"	3135	3031
18	A"	3114	3011
19	A"	3091	2989
20	A"	1493	1444
21	A"	1311	1268
22	A"	1267	1225
23	A"	1194	1154
24	A"	888	859
25	A"	765	739
26	A"	240	232
27	A"	135	130

Atom	x (Å)	y (Å)	z (Å)
C1	0.127	-0.787	0.000
C2	0.000	0.731	0.000
C3	-1.469	1.176	0.000
F4	1.473	-1.155	0.000
H5	-0.351	-1.224	0.899
H6	-0.351	-1.224	-0.899
H7	0.525	1.128	-0.890
H8	0.525	1.128	0.890
H9	-1.550	2.278	0.000
H10	-2.002	0.799	-0.895
H11	-2.002	0.799	0.895

	C1	C2	C3	F4	H5	H6	H7	H8	H9	H10	H11
C1		1.5229	2.5300	1.3952	1.1086	1.1086	2.1491	2.1491	3.4933	2.8014	2.8014
C2	1.5229		1.5351	2.3930	2.1803	2.1803	1.1072	1.1072	2.1896	2.1935	2.1935
C3	2.5300	1.5351		3.7537	2.7963	2.7963	2.1843	2.1843	1.1047	1.1071	1.1071
F4	1.3952	2.3930	3.7537		2.0349	2.0349	2.6278	2.6278	4.5739	4.0857	4.0857
H5	1.1086	2.1803	2.7963	2.0349		1.7988	3.0829	2.5104	3.8089	3.1680	2.6111
H6	1.1086	2.1803	2.7963	2.0349	1.7988		2.5104	3.0829	3.8089	2.6111	3.1680
H7	2.1491	1.1072	2.1843	2.6278	3.0829	2.5104		1.7801	2.5332	2.5480	3.1108
H8	2.1491	1.1072	2.1843	2.6278	2.5104	3.0829	1.7801		2.5332	3.1108	2.5480
H9	3.4933	2.1896	1.1047	4.5739	3.8089	3.8089	2.5332	2.5332		1.7862	1.7862
H10	2.8014	2.1935	1.1071	4.0857	3.1680	2.6111	2.5480	3.1108	1.7862		1.7891
H11	2.8014	2.1935	1.1071	4.0857	2.6111	3.1680	3.1108	2.5480	1.7862	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.651	C1	C2	H7	108.558
C1	C2	H8	108.558	C2	C1	F4	110.103
C2	C1	H5	110.917	C2	C1	H6	110.917
C2	C3	H9	111.032	C2	C3	H10	111.200
C2	C3	H11	111.200	C3	C2	H7	110.468
C3	C2	H8	110.468	F4	C1	H5	108.184
F4	C1	H6	108.184	H5	C1	H6	108.444
H7	C2	H8	106.996	H9	C3	H10	107.718
H9	C3	H11	107.718	H10	C3	H11	107.806

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

using model chemistry: MP4/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 CH2FCH2CH3 (1-Fluoropropane)

using model chemistry: MP4/cc-pVDZ

States and conformations

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