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	hartrees
Energy at 0K	-173.588063
Energy at 298.15K	-173.598523
HF Energy	-173.210115
Nuclear repulsion energy	130.184327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3619	3385	0.07
2	A'	3169	2964	41.67
3	A'	3097	2896	60.25
4	A'	3090	2889	13.27
5	A'	3075	2876	33.15
6	A'	1782	1667	30.81
7	A'	1600	1496	5.05
8	A'	1586	1484	1.68
9	A'	1579	1476	0.18
10	A'	1511	1413	5.05
11	A'	1472	1377	2.18
12	A'	1410	1318	3.48
13	A'	1187	1110	3.46
14	A'	1140	1066	15.31
15	A'	1072	1002	1.01
16	A'	929	869	33.83
17	A'	725	678	320.18
18	A'	465	435	5.81
19	A'	278	260	5.19
20	A"	3731	3490	0.39
21	A"	3162	2957	82.04
22	A"	3140	2937	29.19
23	A"	3105	2904	6.22
24	A"	1591	1488	7.21
25	A"	1438	1345	0.02
26	A"	1386	1297	0.10
27	A"	1321	1235	0.09
28	A"	1076	1007	0.23
29	A"	905	847	0.99
30	A"	775	725	2.05
31	A"	284	265	55.25
32	A"	228	213	7.19
33	A"	137	128	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.440	1.310	0.000
C2	0.000	0.761	0.000
C3	-0.051	-0.783	0.000
N4	-1.397	-1.375	0.000
H5	1.449	2.405	0.000
H6	1.988	0.968	0.886
H7	1.988	0.968	-0.886
H8	-0.541	1.134	0.881
H9	-0.541	1.134	-0.881
H10	0.483	-1.165	-0.879
H11	0.483	-1.165	0.879
H12	-1.933	-1.192	-0.836
H13	-1.933	-1.192	0.836

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5410	2.5698	3.9058	1.0950	1.0966	1.0966	2.1756	2.1756	2.7952	2.7952	4.2823	4.2823
C2	1.5410		1.5452	2.5523	2.1910	2.1862	2.1862	1.0991	1.0991	2.1716	2.1716	2.8726	2.8726
C3	2.5698	1.5452		1.4702	3.5231	2.8297	2.8297	2.1659	2.1659	1.0969	1.0969	2.1000	2.1000
N4	3.9058	2.5523	1.4702		4.7311	4.2105	4.2105	2.7931	2.7931	2.0856	2.0856	1.0101	1.0101
H5	1.0950	2.1910	3.5231	4.7311		1.7723	1.7723	2.5204	2.5204	3.8011	3.8011	5.0074	5.0074
H6	1.0966	2.1862	2.8297	4.2105	1.7723		1.7724	2.5346	3.0899	3.1508	2.6102	4.7964	4.4770
H7	1.0966	2.1862	2.8297	4.2105	1.7723	1.7724		3.0899	2.5346	2.6102	3.1508	4.4770	4.7964
H8	2.1756	1.0991	2.1659	2.7931	2.5204	2.5346	3.0899		1.7622	3.0709	2.5167	3.2084	2.7108
H9	2.1756	1.0991	2.1659	2.7931	2.5204	3.0899	2.5346	1.7622		2.5167	3.0709	2.7108	3.2084
H10	2.7952	2.1716	1.0969	2.0856	3.8011	3.1508	2.6102	3.0709	2.5167		1.7574	2.4172	2.9632
H11	2.7952	2.1716	1.0969	2.0856	3.8011	2.6102	3.1508	2.5167	3.0709	1.7574		2.9632	2.4172
H12	4.2823	2.8726	2.1000	1.0101	5.0074	4.7964	4.4770	3.2084	2.7108	2.4172	2.9632		1.6715
H13	4.2823	2.8726	2.1000	1.0101	5.0074	4.4770	4.7964	2.7108	3.2084	2.9632	2.4172	1.6715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.745	C1	C2	H8	109.851
C1	C2	H9	109.851	C2	C1	H5	111.314
C2	C1	H6	110.837	C2	C1	H7	110.837
C2	C3	N4	115.627	C2	C3	H10	109.387
C2	C3	H11	109.387	C3	C2	H8	108.812
C3	C2	H9	108.812	C3	N4	H12	114.426
C3	N4	H13	114.426	N4	C3	H10	107.788
N4	C3	H11	107.788	H5	C1	H6	107.939
H5	C1	H7	107.939	H6	C1	H7	107.834
H8	C2	H9	106.571	H10	C3	H11	106.469
H12	N4	H13	111.669

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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