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	hartrees
Energy at 0K	-118.136797
Energy at 298.15K
HF Energy	-117.645137
Nuclear repulsion energy	75.809674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3306	3306
2	A	3198	3198
3	A	3167	3167
4	A	3163	3163
5	A	3099	3099
6	A	3080	3080
7	A	3010	3010
8	A	1543	1543
9	A	1536	1536
10	A	1517	1517
11	A	1511	1511
12	A	1452	1452
13	A	1393	1393
14	A	1297	1297
15	A	1205	1205
16	A	1109	1109
17	A	1079	1079
18	A	937	937
19	A	905	905
20	A	768	768
21	A	484	484
22	A	369	369
23	A	257	257
24	A	143	143

Atom	x (Å)	y (Å)	z (Å)
C1	1.301	-0.293	-0.037
C2	0.075	0.559	0.065
C3	-1.223	-0.249	-0.046
H4	-2.097	0.401	0.032
H5	-1.271	-0.772	-1.003
H6	-1.282	-0.997	0.748
H7	0.073	1.101	1.023
H8	0.101	1.329	-0.712
H9	2.240	0.114	-0.388
H10	1.318	-1.278	0.412

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4958	2.5243	3.4685	2.7885	2.7899	2.1382	2.1274	1.0817	1.0831
C2	1.4958		1.5329	2.1781	2.1729	2.1744	1.1007	1.0944	2.2555	2.2445
C3	2.5243	1.5329		1.0917	1.0916	1.0923	2.1549	2.1646	3.4984	2.7791
H4	3.4685	2.1781	1.0917		1.7688	1.7690	2.4861	2.4991	4.3663	3.8238
H5	2.7885	2.1729	1.0916	1.7688		1.7657	3.0685	2.5254	3.6723	2.9928
H6	2.7899	2.1744	1.0923	1.7690	1.7657		2.5121	3.0745	3.8636	2.6363
H7	2.1382	1.1007	2.1549	2.4861	3.0685	2.5121		1.7501	2.7671	2.7534
H8	2.1274	1.0944	2.1646	2.4991	2.5254	3.0745	1.7501		2.4809	3.0889
H9	1.0817	2.2555	3.4984	4.3663	3.6723	3.8636	2.7671	2.4809		1.8519
H10	1.0831	2.2445	2.7791	3.8238	2.9928	2.6363	2.7534	3.0889	1.8519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.905	C1	C2	H7	109.942
C1	C2	H8	109.458	C2	C1	H9	121.266
C2	C1	H10	120.152	C2	C3	H4	111.058
C2	C3	H5	110.647	C2	C3	H6	110.724
C3	C2	H7	108.708	C3	C2	H8	109.831
H4	C3	H5	108.220	H4	C3	H6	108.184
H5	C3	H6	107.895	H7	C2	H8	105.745
H9	C1	H10	117.616

All results from a given calculation for C₃H₇ (n-Propyl radical)

using model chemistry: QCISD(T)=FULL/6-31+G**

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 C3H7 (n-Propyl radical)

using model chemistry: QCISD(T)=FULL/6-31+G**

States and conformations

All results from a given calculation for C₃H₇ (n-Propyl radical)