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	hartrees
Energy at 0K	-118.144622
Energy at 298.15K
HF Energy	-117.672680
Nuclear repulsion energy	75.976939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3317	3102	14.70
2	A	3210	3002	15.11
3	A	3169	2964	32.70
4	A	3165	2960	42.01
5	A	3110	2909	18.10
6	A	3088	2888	25.13
7	A	3033	2837	32.30
8	A	1535	1435	3.08
9	A	1526	1427	5.87
10	A	1512	1414	0.29
11	A	1506	1408	1.91
12	A	1451	1357	1.76
13	A	1401	1310	2.46
14	A	1302	1217	0.19
15	A	1209	1131	0.42
16	A	1109	1037	0.09
17	A	1083	1012	1.30
18	A	941	880	0.76
19	A	908	850	0.05
20	A	776	726	0.65
21	A	475	445	47.19
22	A	370	346	6.13
23	A	260	243	0.18
24	A	158	148	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	1.297	-0.294	-0.039
C2	0.076	0.558	0.062
C3	-1.220	-0.247	-0.043
H4	-2.092	0.403	0.034
H5	-1.271	-0.772	-0.997
H6	-1.279	-0.990	0.753
H7	0.080	1.102	1.015
H8	0.100	1.322	-0.719
H9	2.242	0.123	-0.352
H10	1.301	-1.286	0.390

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4925	2.5180	3.4611	2.7824	2.7840	2.1316	2.1233	1.0795	1.0807
C2	1.4925		1.5294	2.1739	2.1687	2.1707	1.0980	1.0923	2.2478	2.2380
C3	2.5180	1.5294		1.0901	1.0902	1.0909	2.1518	2.1588	3.4961	2.7615
H4	3.4611	2.1739	1.0901		1.7657	1.7661	2.4838	2.4930	4.3606	3.8072
H5	2.7824	2.1687	1.0902	1.7657		1.7641	3.0636	2.5180	3.6826	2.9676
H6	2.7840	2.1707	1.0909	1.7661	1.7641		2.5088	3.0683	3.8552	2.6226
H7	2.1316	1.0980	2.1518	2.4838	3.0636	2.5088		1.7477	2.7391	2.7541
H8	2.1233	1.0923	2.1588	2.4930	2.5180	3.0683	1.7477		2.4826	3.0782
H9	1.0795	2.2478	3.4961	4.3606	3.6826	3.8552	2.7391	2.4826		1.8498
H10	1.0807	2.2380	2.7615	3.8072	2.9676	2.6226	2.7541	3.0782	1.8498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.862	C1	C2	H7	109.804
C1	C2	H8	109.484	C2	C1	H9	121.005
C2	C1	H10	120.006	C2	C3	H4	111.062
C2	C3	H5	110.642	C2	C3	H6	110.756
C3	C2	H7	108.856	C3	C2	H8	109.732
H4	C3	H5	108.162	H4	C3	H6	108.145
H5	C3	H6	107.960	H7	C2	H8	105.862
H9	C1	H10	117.819

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

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

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