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	hartrees
Energy at 0K	-173.635727
Energy at 298.15K	-173.646152
HF Energy	-173.208664
Nuclear repulsion energy	129.658291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3541	3541	0.59
2	A'	3122	3122	40.40
3	A'	3044	3044	63.91
4	A'	3042	3042	14.48
5	A'	3024	3024	24.39
6	A'	1758	1758	27.94
7	A'	1575	1575	4.37
8	A'	1561	1561	1.68
9	A'	1552	1552	0.24
10	A'	1484	1484	4.48
11	A'	1443	1443	1.78
12	A'	1381	1381	4.01
13	A'	1166	1166	3.58
14	A'	1116	1116	10.24
15	A'	1053	1053	1.16
16	A'	913	913	40.62
17	A'	745	745	289.63
18	A'	456	456	4.65
19	A'	272	272	5.17
20	A"	3650	3650	0.02
21	A"	3114	3114	73.31
22	A"	3089	3089	35.96
23	A"	3055	3055	5.84
24	A"	1566	1566	6.85
25	A"	1415	1415	0.11
26	A"	1362	1362	0.16
27	A"	1300	1300	0.07
28	A"	1060	1060	0.09
29	A"	890	890	1.17
30	A"	760	760	1.83
31	A"	289	289	57.69
32	A"	227	227	6.40
33	A"	137	137	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	1.445	1.315	0.000
C2	0.000	0.764	0.000
C3	-0.050	-0.786	0.000
N4	-1.402	-1.384	0.000
H5	1.453	2.415	0.000
H6	1.994	0.970	0.890
H7	1.994	0.970	-0.890
H8	-0.544	1.136	0.886
H9	-0.544	1.136	-0.886
H10	0.486	-1.169	-0.883
H11	0.486	-1.169	0.883
H12	-1.939	-1.177	-0.838
H13	-1.939	-1.177	0.838

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5465	2.5788	3.9233	1.0996	1.1012	1.1012	2.1846	2.1846	2.8052	2.8052	4.2848	4.2848
C2	1.5465		1.5507	2.5651	2.1990	2.1930	2.1930	1.1041	1.1041	2.1797	2.1797	2.8680	2.8680
C3	2.5788	1.5507		1.4785	3.5360	2.8378	2.8378	2.1735	2.1735	1.1019	1.1019	2.1026	2.1026
N4	3.9233	2.5651	1.4785		4.7519	4.2268	4.2268	2.8058	2.8058	2.0959	2.0959	1.0161	1.0161
H5	1.0996	2.1990	3.5360	4.7519		1.7811	1.7811	2.5309	2.5309	3.8151	3.8151	5.0101	5.0101
H6	1.1012	2.1930	2.8378	4.2268	1.7811		1.7807	2.5431	3.1018	3.1611	2.6166	4.8017	4.4803
H7	1.1012	2.1930	2.8378	4.2268	1.7811	1.7807		3.1018	2.5431	2.6166	3.1611	4.4803	4.8017
H8	2.1846	1.1041	2.1735	2.8058	2.5309	2.5431	3.1018		1.7711	3.0828	2.5248	3.2037	2.7013
H9	2.1846	1.1041	2.1735	2.8058	2.5309	3.1018	2.5431	1.7711		2.5248	3.0828	2.7013	3.2037
H10	2.8052	2.1797	1.1019	2.0959	3.8151	3.1611	2.6166	3.0828	2.5248		1.7667	2.4253	2.9735
H11	2.8052	2.1797	1.1019	2.0959	3.8151	2.6166	3.1611	2.5248	3.0828	1.7667		2.9735	2.4253
H12	4.2848	2.8680	2.1026	1.0161	5.0101	4.8017	4.4803	3.2037	2.7013	2.4253	2.9735		1.6753
H13	4.2848	2.8680	2.1026	1.0161	5.0101	4.4803	4.8017	2.7013	3.2037	2.9735	2.4253	1.6753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.734	C1	C2	H8	109.889
C1	C2	H9	109.889	C2	C1	H5	111.287
C2	C1	H6	110.715	C2	C1	H7	110.715
C2	C3	N4	115.704	C2	C3	H10	109.351
C2	C3	H11	109.351	C3	C2	H8	108.743
C3	C2	H9	108.743	C3	N4	H12	113.596
C3	N4	H13	113.596	N4	C3	H10	107.735
N4	C3	H11	107.735	H5	C1	H6	108.050
H5	C1	H7	108.050	H6	C1	H7	107.898
H8	C2	H9	106.649	H10	C3	H11	106.574
H12	N4	H13	111.059

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G

States and conformations

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