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	hartrees
Energy at 0K	-118.102799
Energy at 298.15K
HF Energy	-117.640964
Nuclear repulsion energy	75.404342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3309	3111	12.60
2	A	3198	3007	13.44
3	A	3178	2988	27.78
4	A	3173	2983	35.41
5	A	3106	2921	20.05
6	A	3088	2903	24.61
7	A	3032	2851	33.50
8	A	1511	1421	2.58
9	A	1502	1413	5.27
10	A	1484	1395	0.09
11	A	1478	1390	1.78
12	A	1425	1340	1.45
13	A	1375	1293	3.03
14	A	1285	1208	0.20
15	A	1187	1117	0.33
16	A	1116	1049	0.06
17	A	1065	1002	1.15
18	A	932	877	0.91
19	A	902	848	0.14
20	A	764	718	0.64
21	A	464	437	36.21
22	A	368	346	3.11
23	A	264	248	0.07
24	A	143	134	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	1.304	-0.298	-0.042
C2	0.076	0.561	0.054
C3	-1.226	-0.246	-0.038
H4	-2.109	0.409	0.035
H5	-1.282	-0.792	-0.995
H6	-1.285	-0.988	0.777
H7	0.084	1.125	1.011
H8	0.099	1.329	-0.740
H9	2.276	0.141	-0.283
H10	1.292	-1.321	0.348

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5019	2.5313	3.4871	2.8004	2.8017	2.1494	2.1420	1.0931	1.0945
C2	1.5019		1.5348	2.1907	2.1846	2.1846	1.1104	1.1052	2.2648	2.2594
C3	2.5313	1.5348		1.1020	1.1025	1.1033	2.1671	2.1752	3.5322	2.7650
H4	3.4871	2.1907	1.1020		1.7849	1.7838	2.5051	2.5147	4.4050	3.8286
H5	2.8004	2.1846	1.1025	1.7849		1.7821	3.0918	2.5435	3.7466	2.9509
H6	2.8017	2.1846	1.1033	1.7838	1.7821		2.5284	3.0959	3.8828	2.6331
H7	2.1494	1.1104	2.1671	2.5051	3.0918	2.5284		1.7624	2.7282	2.8067
H8	2.1420	1.1052	2.1752	2.5147	2.5435	3.0959	1.7624		2.5218	3.1030
H9	1.0931	2.2648	3.5322	4.4050	3.7466	3.8828	2.7282	2.5218		1.8718
H10	1.0945	2.2594	2.7650	3.8286	2.9509	2.6331	2.8067	3.1030	1.8718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.933	C1	C2	H7	109.824
C1	C2	H8	109.560	C2	C1	H9	120.749
C2	C1	H10	120.149	C2	C3	H4	111.302
C2	C3	H5	110.785	C2	C3	H6	110.745
C3	C2	H7	108.962	C3	C2	H8	109.889
H4	C3	H5	108.122	H4	C3	H6	107.974
H5	C3	H6	107.779	H7	C2	H8	105.397
H9	C1	H10	117.654

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

using model chemistry: MP3=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: MP3=FULL/cc-pVDZ

States and conformations

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