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	hartrees
Energy at 0K	-20.873888
Energy at 298.15K
HF Energy	-20.498966
Nuclear repulsion energy	44.538001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3301	3145	18.76
2	A	3183	3033	19.86
3	A	3166	3017	35.81
4	A	3161	3011	42.81
5	A	3106	2960	19.83
6	A	3065	2920	29.22
7	A	3018	2876	37.68
8	A	1543	1471	4.79
9	A	1537	1465	7.70
10	A	1521	1449	1.01
11	A	1505	1434	1.65
12	A	1446	1377	3.12
13	A	1386	1321	1.91
14	A	1296	1235	0.24
15	A	1203	1146	0.51
16	A	1105	1053	0.17
17	A	1074	1023	1.00
18	A	928	884	1.34
19	A	902	860	0.21
20	A	762	726	1.03
21	A	469	447	55.17
22	A	364	347	7.78
23	A	257	245	0.29
24	A	151	144	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.321	-0.299	-0.053
C2	0.094	0.563	0.076
C3	-1.214	-0.243	-0.054
H4	-2.087	0.410	0.044
H5	-1.263	-0.741	-1.028
H6	-1.274	-1.011	0.725
H7	0.098	1.079	1.050
H8	0.121	1.352	-0.687
H9	2.271	0.124	-0.362
H10	1.332	-1.296	0.380

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5055	2.5353	3.4828	2.7969	2.8009	2.1477	2.1372	1.0852	1.0862
C2	1.5055		1.5413	2.1866	2.1812	2.1841	1.1031	1.0970	2.2642	2.2541
C3	2.5353	1.5413		1.0953	1.0948	1.0957	2.1655	2.1736	3.5178	2.7888
H4	3.4828	2.1866	1.0953		1.7754	1.7740	2.4976	2.5091	4.3869	3.8361
H5	2.7969	2.1812	1.0948	1.7754		1.7738	3.0796	2.5316	3.6989	3.0041
H6	2.8009	2.1841	1.0957	1.7740	1.7738		2.5217	3.0856	3.8779	2.6441
H7	2.1477	1.1031	2.1655	2.4976	3.0796	2.5217		1.7582	2.7623	2.7591
H8	2.1372	1.0970	2.1736	2.5091	2.5316	3.0856	1.7582		2.4975	3.1003
H9	1.0852	2.2642	3.5178	4.3869	3.6989	3.8779	2.7623	2.4975		1.8566
H10	1.0862	2.2541	2.7888	3.8361	3.0041	2.6441	2.7591	3.1003	1.8566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.630	C1	C2	H7	109.884
C1	C2	H8	109.407	C2	C1	H9	120.993
C2	C1	H10	119.984	C2	C3	H4	110.924
C2	C3	H5	110.524	C2	C3	H6	110.701
C3	C2	H7	108.817	C3	C2	H8	109.793
H4	C3	H5	108.320	H4	C3	H6	108.130
H5	C3	H6	108.143	H7	C2	H8	106.099
H9	C1	H10	117.522

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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