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	hartrees
Energy at 0K	-118.119348
Energy at 298.15K
HF Energy	-117.640665
Nuclear repulsion energy	75.298482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3281	3166
2	A	3170	3059
3	A	3147	3037
4	A	3141	3032
5	A	3071	2964
6	A	3054	2947
7	A	2991	2887
8	A	1500	1448
9	A	1492	1440
10	A	1473	1421
11	A	1465	1413
12	A	1410	1361
13	A	1360	1313
14	A	1272	1227
15	A	1178	1137
16	A	1107	1068
17	A	1055	1018
18	A	924	892
19	A	894	863
20	A	755	729
21	A	463	447
22	A	365	352
23	A	264	255
24	A	144	139

Atom	x (Å)	y (Å)	z (Å)
C1	1.305	-0.298	-0.042
C2	0.076	0.561	0.056
C3	-1.227	-0.247	-0.039
H4	-2.113	0.409	0.035
H5	-1.282	-0.791	-1.000
H6	-1.285	-0.993	0.775
H7	0.083	1.124	1.017
H8	0.100	1.335	-0.737
H9	2.277	0.139	-0.296
H10	1.296	-1.319	0.359

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5025	2.5329	3.4913	2.8022	2.8036	2.1533	2.1453	1.0954	1.0968
C2	1.5025		1.5366	2.1947	2.1876	2.1877	1.1137	1.1080	2.2681	2.2611
C3	2.5329	1.5366		1.1046	1.1051	1.1059	2.1704	2.1794	3.5347	2.7700
H4	3.4913	2.1947	1.1046		1.7893	1.7882	2.5091	2.5200	4.4106	3.8352
H5	2.8022	2.1876	1.1051	1.7893		1.7863	3.0974	2.5485	3.7448	2.9614
H6	2.8036	2.1877	1.1059	1.7882	1.7863		2.5320	3.1021	3.8880	2.6343
H7	2.1533	1.1137	2.1704	2.5091	3.0974	2.5320		1.7667	2.7398	2.8051
H8	2.1453	1.1080	2.1794	2.5200	2.5485	3.1021	1.7667		2.5227	3.1102
H9	1.0954	2.2681	3.5347	4.4106	3.7448	3.8880	2.7398	2.5227		1.8755
H10	1.0968	2.2611	2.7700	3.8352	2.9614	2.6343	2.8051	3.1102	1.8755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.900	C1	C2	H7	109.890
C1	C2	H8	109.596	C2	C1	H9	120.824
C2	C1	H10	120.081	C2	C3	H4	111.338
C2	C3	H5	110.748	C2	C3	H6	110.711
C3	C2	H7	108.904	C3	C2	H8	109.931
H4	C3	H5	108.136	H4	C3	H6	107.989
H5	C3	H6	107.786	H7	C2	H8	105.340
H9	C1	H10	117.636

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

using model chemistry: MP4=FULL/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 C3H7 (n-Propyl radical)

using model chemistry: MP4=FULL/cc-pVDZ

States and conformations

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