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	hartrees
Energy at 0K	-174.115601
Energy at 298.15K	-174.126061
HF Energy	-173.346734
Nuclear repulsion energy	131.273906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3520	3335	1.04
2	A'	3137	2972	37.57
3	A'	3065	2904	61.92
4	A'	3057	2897	12.85
5	A'	3049	2888	25.00
6	A'	1677	1589	25.16
7	A'	1535	1454	4.78
8	A'	1519	1440	0.47
9	A'	1512	1433	0.05
10	A'	1449	1373	0.74
11	A'	1445	1370	7.96
12	A'	1360	1289	9.01
13	A'	1170	1108	5.69
14	A'	1120	1061	13.48
15	A'	1058	1002	0.68
16	A'	948	898	112.55
17	A'	870	825	71.55
18	A'	453	429	3.20
19	A'	269	255	4.78
20	A"	3605	3415	0.01
21	A"	3130	2966	76.95
22	A"	3110	2947	24.83
23	A"	3080	2919	3.06
24	A"	1526	1446	6.07
25	A"	1414	1340	0.31
26	A"	1345	1275	0.52
27	A"	1270	1204	0.01
28	A"	1055	999	0.26
29	A"	881	835	1.28
30	A"	762	722	0.45
31	A"	286	271	46.94
32	A"	230	218	4.47
33	A"	126	120	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	1.430	1.285	0.000
C2	0.000	0.749	0.000
C3	-0.053	-0.779	0.000
N4	-1.390	-1.373	0.000
H5	1.448	2.376	0.000
H6	1.974	0.940	0.883
H7	1.974	0.940	-0.883
H8	-0.536	1.121	0.879
H9	-0.536	1.121	-0.879
H10	0.481	-1.157	-0.876
H11	0.481	-1.157	0.876
H12	-1.907	-1.052	-0.812
H13	-1.907	-1.052	0.812

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5269	2.5407	3.8748	1.0911	1.0925	1.0925	2.1598	2.1598	2.7623	2.7623	4.1537	4.1537
C2	1.5269		1.5285	2.5365	2.1775	2.1705	2.1705	1.0948	1.0948	2.1523	2.1523	2.7457	2.7457
C3	2.5407	1.5285		1.4635	3.4929	2.8000	2.8000	2.1486	2.1486	1.0935	1.0935	2.0424	2.0424
N4	3.8748	2.5365	1.4635		4.7014	4.1767	4.1767	2.7788	2.7788	2.0774	2.0774	1.0140	1.0140
H5	1.0911	2.1775	3.4929	4.7014		1.7653	1.7653	2.5063	2.5063	3.7660	3.7660	4.8642	4.8642
H6	1.0925	2.1705	2.8000	4.1767	1.7653		1.7652	2.5166	3.0718	3.1177	2.5744	4.6796	4.3628
H7	1.0925	2.1705	2.8000	4.1767	1.7653	1.7652		3.0718	2.5166	2.5744	3.1177	4.3628	4.6796
H8	2.1598	1.0948	2.1486	2.7788	2.5063	2.5166	3.0718		1.7576	3.0507	2.4955	3.0757	2.5704
H9	2.1598	1.0948	2.1486	2.7788	2.5063	3.0718	2.5166	1.7576		2.4955	3.0507	2.5704	3.0757
H10	2.7623	2.1523	1.0935	2.0774	3.7660	3.1177	2.5744	3.0507	2.4955		1.7520	2.3912	2.9260
H11	2.7623	2.1523	1.0935	2.0774	3.7660	2.5744	3.1177	2.4955	3.0507	1.7520		2.9260	2.3912
H12	4.1537	2.7457	2.0424	1.0140	4.8642	4.6796	4.3628	3.0757	2.5704	2.3912	2.9260		1.6231
H13	4.1537	2.7457	2.0424	1.0140	4.8642	4.3628	4.6796	2.5704	3.0757	2.9260	2.3912	1.6231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.518	C1	C2	H8	109.840
C1	C2	H9	109.840	C2	C1	H5	111.475
C2	C1	H6	110.831	C2	C1	H7	110.831
C2	C3	N4	115.921	C2	C3	H10	109.220
C2	C3	H11	109.220	C3	C2	H8	108.849
C3	C2	H9	108.849	C3	N4	H12	109.717
C3	N4	H13	109.717	N4	C3	H10	107.796
N4	C3	H11	107.796	H5	C1	H6	107.889
H5	C1	H7	107.889	H6	C1	H7	107.777
H8	C2	H9	106.772	H10	C3	H11	106.478
H12	N4	H13	106.320

All results from a given calculation for NH₂CH₂CH₂CH₃ (1-Propanamine)

using model chemistry: CCSD=FULL/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 NH2CH2CH2CH3 (1-Propanamine)

using model chemistry: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for NH₂CH₂CH₂CH₃ (1-Propanamine)