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	hartrees
Energy at 0K	-118.063218
Energy at 298.15K
HF Energy	-117.640874
Nuclear repulsion energy	76.007997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3362	3362
2	A	3246	3246
3	A	3216	3216
4	A	3212	3212
5	A	3147	3147
6	A	3117	3117
7	A	3062	3062
8	A	1550	1550
9	A	1544	1544
10	A	1527	1527
11	A	1520	1520
12	A	1455	1455
13	A	1400	1400
14	A	1305	1305
15	A	1215	1215
16	A	1125	1125
17	A	1084	1084
18	A	947	947
19	A	918	918
20	A	775	775
21	A	490	490
22	A	373	373
23	A	263	263
24	A	146	146

Atom	x (Å)	y (Å)	z (Å)
C1	1.297	-0.292	-0.037
C2	0.076	0.557	0.064
C3	-1.219	-0.248	-0.045
H4	-2.092	0.400	0.032
H5	-1.267	-0.771	-1.000
H6	-1.278	-0.992	0.750
H7	0.075	1.100	1.019
H8	0.100	1.325	-0.713
H9	2.236	0.115	-0.379
H10	1.308	-1.279	0.403

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4910	2.5162	3.4598	2.7801	2.7816	2.1318	2.1228	1.0793	1.0805
C2	1.4910		1.5286	2.1740	2.1675	2.1689	1.0984	1.0926	2.2489	2.2376
C3	2.5162	1.5286		1.0900	1.0898	1.0905	2.1504	2.1591	3.4899	2.7661
H4	3.4598	2.1740	1.0900		1.7653	1.7654	2.4826	2.4937	4.3570	3.8106
H5	2.7801	2.1675	1.0898	1.7653		1.7638	3.0622	2.5189	3.6661	2.9765
H6	2.7816	2.1689	1.0905	1.7654	1.7638		2.5063	3.0676	3.8530	2.6249
H7	2.1318	1.0984	2.1504	2.4826	3.0622	2.5063		1.7465	2.7549	2.7492
H8	2.1228	1.0926	2.1591	2.4937	2.5189	3.0676	1.7465		2.4775	3.0804
H9	1.0793	2.2489	3.4899	4.3570	3.6661	3.8530	2.7549	2.4775		1.8482
H10	1.0805	2.2376	2.7661	3.8106	2.9765	2.6249	2.7492	3.0804	1.8482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.869	C1	C2	H7	109.897
C1	C2	H8	109.537	C2	C1	H9	121.248
C2	C1	H10	120.108	C2	C3	H4	111.135
C2	C3	H5	110.624	C2	C3	H6	110.697
C3	C2	H7	108.776	C3	C2	H8	109.797
H4	C3	H5	108.161	H4	C3	H6	108.119
H5	C3	H6	107.991	H7	C2	H8	105.714
H9	C1	H10	117.684

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

using model chemistry: ROMP2/6-31+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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Number	Element	Mulliken
1	C	-0.274
2	C	-0.215
3	C	-0.422
4	H	0.127
5	H	0.131
6	H	0.124
7	H	0.130
8	H	0.129
9	H	0.138
10	H	0.132

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	59.337
(<r²>)^1/2	7.703

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

using model chemistry: ROMP2/6-31+G**

States and conformations

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