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	hartrees
Energy at 0K	-173.966070
Energy at 298.15K	-173.976587
HF Energy	-173.298467
Nuclear repulsion energy	130.447595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3493	3342	1.74
2	A'	3151	3014	31.88
3	A'	3062	2930	36.44
4	A'	3057	2925	41.50
5	A'	3047	2915	24.34
6	A'	1676	1603	16.63
7	A'	1511	1445	3.39
8	A'	1498	1433	1.15
9	A'	1488	1424	0.06
10	A'	1429	1367	1.33
11	A'	1418	1357	6.76
12	A'	1333	1276	14.58
13	A'	1170	1119	7.58
14	A'	1128	1079	16.29
15	A'	1070	1024	0.64
16	A'	970	928	126.60
17	A'	883	845	27.87
18	A'	453	434	2.45
19	A'	268	256	3.46
20	A"	3575	3420	0.53
21	A"	3143	3007	51.62
22	A"	3110	2975	45.55
23	A"	3084	2951	2.12
24	A"	1500	1435	5.92
25	A"	1408	1347	0.68
26	A"	1329	1272	0.69
27	A"	1253	1199	0.00
28	A"	1046	1000	0.23
29	A"	867	829	1.46
30	A"	751	718	1.31
31	A"	316	302	42.06
32	A"	238	228	3.69
33	A"	137	131	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	1.433	1.294	0.000
C2	0.000	0.747	0.000
C3	-0.054	-0.789	0.000
N4	-1.396	-1.383	0.000
H5	1.444	2.398	0.000
H6	1.988	0.950	0.893
H7	1.988	0.950	-0.893
H8	-0.546	1.125	0.888
H9	-0.546	1.125	-0.888
H10	0.491	-1.173	-0.885
H11	0.491	-1.173	0.885
H12	-1.907	-1.015	-0.808
H13	-1.907	-1.015	0.808

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5339	2.5592	3.8949	1.1042	1.1059	1.1059	2.1757	2.1757	2.7855	2.7855	4.1403	4.1403
C2	1.5339		1.5367	2.5466	2.1941	2.1885	2.1885	1.1088	1.1088	2.1702	2.1702	2.7194	2.7194
C3	2.5592	1.5367		1.4679	3.5218	2.8264	2.8264	2.1666	2.1666	1.1076	1.1076	2.0346	2.0346
N4	3.8949	2.5466	1.4679		4.7294	4.2060	4.2060	2.7931	2.7931	2.0942	2.0942	1.0247	1.0247
H5	1.1042	2.1941	3.5218	4.7294		1.7859	1.7859	2.5242	2.5242	3.8011	3.8011	4.8516	4.8516
H6	1.1059	2.1885	2.8264	4.2060	1.7859		1.7850	2.5402	3.1018	3.1479	2.5981	4.6825	4.3635
H7	1.1059	2.1885	2.8264	4.2060	1.7859	1.7850		3.1018	2.5402	2.5981	3.1479	4.3635	4.6825
H8	2.1757	1.1088	2.1666	2.7931	2.5242	2.5402	3.1018		1.7750	3.0820	2.5213	3.0511	2.5376
H9	2.1757	1.1088	2.1666	2.7931	2.5242	3.1018	2.5402	1.7750		2.5213	3.0820	2.5376	3.0511
H10	2.7855	2.1702	1.1076	2.0942	3.8011	3.1479	2.5981	3.0820	2.5213		1.7699	2.4039	2.9394
H11	2.7855	2.1702	1.1076	2.0942	3.8011	2.5981	3.1479	2.5213	3.0820	1.7699		2.9394	2.4039
H12	4.1403	2.7194	2.0346	1.0247	4.8516	4.6825	4.3635	3.0511	2.5376	2.4039	2.9394		1.6167
H13	4.1403	2.7194	2.0346	1.0247	4.8516	4.3635	4.6825	2.5376	3.0511	2.9394	2.4039	1.6167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.912	C1	C2	H8	109.784
C1	C2	H9	109.784	C2	C1	H5	111.507
C2	C1	H6	110.960	C2	C1	H7	110.960
C2	C3	N4	115.881	C2	C3	H10	109.235
C2	C3	H11	109.235	C3	C2	H8	108.898
C3	C2	H9	108.898	C3	N4	H12	108.106
C3	N4	H13	108.106	N4	C3	H10	107.989
N4	C3	H11	107.989	H5	C1	H6	107.813
H5	C1	H7	107.813	H6	C1	H7	107.622
H8	C2	H9	106.347	H10	C3	H11	106.063
H12	N4	H13	104.155

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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