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	hartrees
Energy at 0K	-172.745873
Energy at 298.15K	-172.756359
HF Energy	-172.321896
Nuclear repulsion energy	129.611870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3419	3419	3.28
2	A'	3135	3135	30.54
3	A'	3071	3071	50.68
4	A'	3066	3066	11.11
5	A'	3056	3056	11.91
6	A'	1765	1765	17.98
7	A'	1598	1598	5.08
8	A'	1585	1585	1.17
9	A'	1573	1573	0.38
10	A'	1491	1491	5.36
11	A'	1434	1434	0.83
12	A'	1380	1380	2.74
13	A'	1167	1167	4.18
14	A'	1081	1081	3.53
15	A'	1015	1015	6.94
16	A'	911	911	77.22
17	A'	805	805	179.27
18	A'	449	449	2.31
19	A'	268	268	4.51
20	A"	3510	3510	2.99
21	A"	3133	3133	65.80
22	A"	3114	3114	15.15
23	A"	3085	3085	1.37
24	A"	1595	1595	7.42
25	A"	1429	1429	1.08
26	A"	1381	1381	0.41
27	A"	1305	1305	0.03
28	A"	1079	1079	0.00
29	A"	898	898	2.26
30	A"	763	763	2.48
31	A"	311	311	58.91
32	A"	235	235	5.58
33	A"	139	139	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	1.456	1.298	0.000
C2	0.000	0.764	0.000
C3	-0.047	-0.789	0.000
N4	-1.418	-1.382	0.000
H5	1.475	2.394	0.000
H6	1.991	0.942	0.889
H7	1.991	0.942	-0.889
H8	-0.534	1.134	0.886
H9	-0.534	1.134	-0.886
H10	0.481	-1.167	-0.885
H11	0.481	-1.167	0.885
H12	-1.937	-1.088	-0.832
H13	-1.937	-1.088	0.832

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5506	2.5717	3.9297	1.0960	1.0971	1.0971	2.1844	2.1844	2.7939	2.7939	4.2303	4.2303
C2	1.5506		1.5535	2.5723	2.1980	2.1878	2.1878	1.0992	1.0992	2.1774	2.1774	2.8061	2.8061
C3	2.5717	1.5535		1.4940	3.5278	2.8178	2.8178	2.1728	2.1728	1.0975	1.0975	2.0865	2.0865
N4	3.9297	2.5723	1.4940		4.7567	4.2208	4.2208	2.8106	2.8106	2.1066	2.1066	1.0238	1.0238
H5	1.0960	2.1980	3.5278	4.7567		1.7791	1.7791	2.5312	2.5312	3.8007	3.8007	4.9451	4.9451
H6	1.0971	2.1878	2.8178	4.2208	1.7791		1.7781	2.5323	3.0928	3.1418	2.5933	4.7447	4.4218
H7	1.0971	2.1878	2.8178	4.2208	1.7791	1.7781		3.0928	2.5323	2.5933	3.1418	4.4218	4.7447
H8	2.1844	1.0992	2.1728	2.8106	2.5312	2.5323	3.0928		1.7730	3.0759	2.5149	3.1402	2.6286
H9	2.1844	1.0992	2.1728	2.8106	2.5312	3.0928	2.5323	1.7730		2.5149	3.0759	2.6286	3.1402
H10	2.7939	2.1774	1.0975	2.1066	3.8007	3.1418	2.5933	3.0759	2.5149		1.7691	2.4200	2.9668
H11	2.7939	2.1774	1.0975	2.1066	3.8007	2.5933	3.1418	2.5149	3.0759	1.7691		2.9668	2.4200
H12	4.2303	2.8061	2.0865	1.0238	4.9451	4.7447	4.4218	3.1402	2.6286	2.4200	2.9668		1.6647
H13	4.2303	2.8061	2.0865	1.0238	4.9451	4.4218	4.7447	2.6286	3.1402	2.9668	2.4200	1.6647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.885	C1	C2	H8	109.879
C1	C2	H9	109.879	C2	C1	H5	111.131
C2	C1	H6	110.259	C2	C1	H7	110.259
C2	C3	N4	115.133	C2	C3	H10	109.233
C2	C3	H11	109.233	C3	C2	H8	108.786
C3	C2	H9	108.786	C3	N4	H12	110.537
C3	N4	H13	110.537	N4	C3	H10	107.777
N4	C3	H11	107.777	H5	C1	H6	108.426
H5	C1	H7	108.426	H6	C1	H7	108.260
H8	C2	H9	107.515	H10	C3	H11	107.414
H12	N4	H13	108.786

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

using model chemistry: MP3=FULL/3-21G

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: MP3=FULL/3-21G

States and conformations

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