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	hartrees
Energy at 0K	-173.888564
Energy at 298.15K	-173.899077
HF Energy	-173.281107
Nuclear repulsion energy	130.870445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3484	3298	1.19
2	A'	3155	2986	31.66
3	A'	3074	2910	50.64
4	A'	3070	2906	19.21
5	A'	3055	2891	19.40
6	A'	1732	1639	26.01
7	A'	1564	1481	4.11
8	A'	1550	1468	1.87
9	A'	1543	1461	0.12
10	A'	1470	1391	2.17
11	A'	1452	1375	5.90
12	A'	1366	1293	8.90
13	A'	1185	1122	8.58
14	A'	1134	1074	10.69
15	A'	1078	1020	2.80
16	A'	973	921	153.60
17	A'	890	843	51.66
18	A'	458	434	2.97
19	A'	275	260	4.21
20	A"	3573	3382	0.47
21	A"	3149	2980	51.40
22	A"	3120	2953	37.49
23	A"	3090	2925	4.87
24	A"	1553	1470	7.02
25	A"	1427	1350	0.57
26	A"	1361	1288	0.41
27	A"	1287	1218	0.00
28	A"	1063	1006	0.09
29	A"	886	839	1.72
30	A"	760	720	1.89
31	A"	307	291	53.87
32	A"	236	224	5.51
33	A"	138	131	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	1.429	1.293	0.000
C2	0.000	0.748	0.000
C3	-0.051	-0.783	0.000
N4	-1.391	-1.380	0.000
H5	1.440	2.389	0.000
H6	1.979	0.951	0.886
H7	1.979	0.951	-0.886
H8	-0.543	1.123	0.881
H9	-0.543	1.123	-0.881
H10	0.486	-1.167	-0.879
H11	0.486	-1.167	0.879
H12	-1.908	-1.044	-0.813
H13	-1.908	-1.044	0.813

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5293	2.5492	3.8852	1.0961	1.0973	1.0973	2.1660	2.1660	2.7774	2.7774	4.1539	4.1539
C2	1.5293		1.5317	2.5420	2.1831	2.1776	2.1776	1.1004	1.1004	2.1623	2.1623	2.7406	2.7406
C3	2.5492	1.5317		1.4671	3.5046	2.8128	2.8128	2.1563	2.1563	1.0989	1.0989	2.0442	2.0442
N4	3.8852	2.5420	1.4671		4.7134	4.1922	4.1922	2.7854	2.7854	2.0831	2.0831	1.0207	1.0207
H5	1.0961	2.1831	3.5046	4.7134		1.7727	1.7727	2.5117	2.5117	3.7853	3.7853	4.8631	4.8631
H6	1.0973	2.1776	2.8128	4.1922	1.7727		1.7720	2.5272	3.0835	3.1357	2.5918	4.6876	4.3694
H7	1.0973	2.1776	2.8128	4.1922	1.7727	1.7720		3.0835	2.5272	2.5918	3.1357	4.3694	4.6876
H8	2.1660	1.1004	2.1563	2.7854	2.5117	2.5272	3.0835		1.7617	3.0656	2.5102	3.0703	2.5616
H9	2.1660	1.1004	2.1563	2.7854	2.5117	3.0835	2.5272	1.7617		2.5102	3.0656	2.5616	3.0703
H10	2.7774	2.1623	1.0989	2.0831	3.7853	3.1357	2.5918	3.0656	2.5102		1.7578	2.3977	2.9340
H11	2.7774	2.1623	1.0989	2.0831	3.7853	2.5918	3.1357	2.5102	3.0656	1.7578		2.9340	2.3977
H12	4.1539	2.7406	2.0442	1.0207	4.8631	4.6876	4.3694	3.0703	2.5616	2.3977	2.9340		1.6265
H13	4.1539	2.7406	2.0442	1.0207	4.8631	4.3694	4.6876	2.5616	3.0703	2.9340	2.3977	1.6265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.774	C1	C2	H8	109.832
C1	C2	H9	109.832	C2	C1	H5	111.444
C2	C1	H6	110.934	C2	C1	H7	110.934
C2	C3	N4	115.901	C2	C3	H10	109.467
C2	C3	H11	109.467	C3	C2	H8	108.919
C3	C2	H9	108.919	C3	N4	H12	109.191
C3	N4	H13	109.191	N4	C3	H10	107.674
N4	C3	H11	107.674	H5	C1	H6	107.835
H5	C1	H7	107.835	H6	C1	H7	107.698
H8	C2	H9	106.354	H10	C3	H11	106.214
H12	N4	H13	105.638

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

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

States and conformations

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