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	hartrees
Energy at 0K	-173.917704
Energy at 298.15K	-173.928244
HF Energy	-173.300034
Nuclear repulsion energy	131.380206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3561	3335	0.41
2	A'	3223	3019	28.33
3	A'	3126	2927	39.56
4	A'	3121	2923	38.79
5	A'	3109	2912	10.91
6	A'	1701	1593	22.51
7	A'	1568	1468	3.04
8	A'	1554	1455	0.71
9	A'	1542	1444	0.14
10	A'	1465	1372	1.47
11	A'	1445	1354	5.37
12	A'	1362	1276	10.67
13	A'	1182	1107	6.39
14	A'	1134	1062	11.16
15	A'	1080	1011	1.59
16	A'	957	896	125.77
17	A'	883	827	78.10
18	A'	458	429	3.08
19	A'	271	254	4.17
20	A"	3664	3431	0.00
21	A"	3218	3014	43.47
22	A"	3182	2980	42.70
23	A"	3157	2956	2.50
24	A"	1561	1462	5.80
25	A"	1424	1334	0.51
26	A"	1364	1278	0.53
27	A"	1287	1205	0.00
28	A"	1059	992	0.14
29	A"	885	828	1.62
30	A"	762	714	1.54
31	A"	315	295	50.57
32	A"	241	226	5.37
33	A"	141	132	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	1.425	1.289	0.000
C2	0.000	0.747	0.000
C3	-0.051	-0.780	0.000
N4	-1.387	-1.377	0.000
H5	1.437	2.378	0.000
H6	1.969	0.948	0.880
H7	1.969	0.948	-0.880
H8	-0.539	1.118	0.876
H9	-0.539	1.118	-0.876
H10	0.483	-1.159	-0.875
H11	0.483	-1.159	0.875
H12	-1.900	-1.041	-0.809
H13	-1.900	-1.041	0.809

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5245	2.5415	3.8749	1.0890	1.0901	1.0901	2.1571	2.1571	2.7646	2.7646	4.1394	4.1394
C2	1.5245		1.5277	2.5367	2.1742	2.1666	2.1666	1.0936	1.0936	2.1516	2.1516	2.7310	2.7310
C3	2.5415	1.5277		1.4633	3.4913	2.8006	2.8006	2.1468	2.1468	1.0927	1.0927	2.0347	2.0347
N4	3.8749	2.5367	1.4633		4.6988	4.1769	4.1769	2.7773	2.7773	2.0762	2.0762	1.0151	1.0151
H5	1.0890	2.1742	3.4913	4.6988		1.7617	1.7617	2.5023	2.5023	3.7661	3.7661	4.8456	4.8456
H6	1.0901	2.1666	2.8006	4.1769	1.7617		1.7610	2.5141	3.0670	3.1187	2.5780	4.6668	4.3510
H7	1.0901	2.1666	2.8006	4.1769	1.7617	1.7610		3.0670	2.5141	2.5780	3.1187	4.3510	4.6668
H8	2.1571	1.0936	2.1468	2.7773	2.5023	2.5141	3.0670		1.7524	3.0487	2.4958	3.0580	2.5528
H9	2.1571	1.0936	2.1468	2.7773	2.5023	3.0670	2.5141	1.7524		2.4958	3.0487	2.5528	3.0580
H10	2.7646	2.1516	1.0927	2.0762	3.7661	3.1187	2.5780	3.0487	2.4958		1.7493	2.3871	2.9202
H11	2.7646	2.1516	1.0927	2.0762	3.7661	2.5780	3.1187	2.4958	3.0487	1.7493		2.9202	2.3871
H12	4.1394	2.7310	2.0347	1.0151	4.8456	4.6668	4.3510	3.0580	2.5528	2.3871	2.9202		1.6174
H13	4.1394	2.7310	2.0347	1.0151	4.8456	4.3510	4.6668	2.5528	3.0580	2.9202	2.3871	1.6174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.754	C1	C2	H8	109.861
C1	C2	H9	109.861	C2	C1	H5	111.510
C2	C1	H6	110.830	C2	C1	H7	110.830
C2	C3	N4	116.001	C2	C3	H10	109.268
C2	C3	H11	109.268	C3	C2	H8	108.837
C3	C2	H9	108.837	C3	N4	H12	109.029
C3	N4	H13	109.029	N4	C3	H10	107.763
N4	C3	H11	107.763	H5	C1	H6	107.890
H5	C1	H7	107.890	H6	C1	H7	107.739
H8	C2	H9	106.487	H10	C3	H11	106.346
H12	N4	H13	105.626

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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