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	hartrees
Energy at 0K	-173.803209
Energy at 298.15K	-173.813795
HF Energy	-173.282143
Nuclear repulsion energy	131.480063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3602	3327	0.21
2	A'	3230	2984	35.07
3	A'	3154	2913	58.31
4	A'	3148	2908	12.20
5	A'	3133	2894	26.88
6	A'	1772	1636	28.71
7	A'	1603	1480	4.22
8	A'	1589	1468	1.64
9	A'	1581	1460	0.12
10	A'	1510	1395	1.56
11	A'	1493	1379	7.35
12	A'	1402	1295	9.41
13	A'	1209	1117	6.82
14	A'	1162	1073	16.23
15	A'	1099	1015	1.80
16	A'	986	911	152.03
17	A'	907	837	69.66
18	A'	468	433	3.08
19	A'	281	259	4.27
20	A"	3690	3409	0.00
21	A"	3224	2978	61.70
22	A"	3199	2955	35.77
23	A"	3166	2924	6.10
24	A"	1592	1470	7.00
25	A"	1462	1350	0.37
26	A"	1395	1289	0.38
27	A"	1317	1217	0.00
28	A"	1086	1003	0.07
29	A"	906	836	1.66
30	A"	777	718	1.83
31	A"	309	285	54.66
32	A"	241	223	5.90
33	A"	140	129	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	1.425	1.287	0.000
C2	0.000	0.745	0.000
C3	-0.052	-0.781	0.000
N4	-1.386	-1.371	0.000
H5	1.437	2.377	0.000
H6	1.972	0.948	0.881
H7	1.972	0.948	-0.881
H8	-0.538	1.120	0.875
H9	-0.538	1.120	-0.875
H10	0.481	-1.163	-0.873
H11	0.481	-1.163	0.873
H12	-1.903	-1.051	-0.810
H13	-1.903	-1.051	0.810

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5244	2.5408	3.8682	1.0896	1.0907	1.0907	2.1559	2.1559	2.7669	2.7669	4.1468	4.1468
C2	1.5244		1.5269	2.5294	2.1735	2.1692	2.1692	1.0935	1.0935	2.1529	2.1529	2.7393	2.7393
C3	2.5408	1.5269		1.4586	3.4903	2.8035	2.8035	2.1478	2.1478	1.0919	1.0919	2.0382	2.0382
N4	3.8682	2.5294	1.4586		4.6911	4.1745	4.1745	2.7724	2.7724	2.0711	2.0711	1.0122	1.0122
H5	1.0896	2.1735	3.4903	4.6911		1.7615	1.7615	2.4991	2.4991	3.7687	3.7687	4.8534	4.8534
H6	1.0907	2.1692	2.8035	4.1745	1.7615		1.7611	2.5160	3.0682	3.1234	2.5845	4.6762	4.3607
H7	1.0907	2.1692	2.8035	4.1745	1.7615	1.7611		3.0682	2.5160	2.5845	3.1234	4.3607	4.6762
H8	2.1559	1.0935	2.1478	2.7724	2.4991	2.5160	3.0682		1.7507	3.0504	2.4996	3.0681	2.5649
H9	2.1559	1.0935	2.1478	2.7724	2.4991	3.0682	2.5160	1.7507		2.4996	3.0504	2.5649	3.0681
H10	2.7669	2.1529	1.0919	2.0711	3.7687	3.1234	2.5845	3.0504	2.4996		1.7463	2.3869	2.9197
H11	2.7669	2.1529	1.0919	2.0711	3.7687	2.5845	3.1234	2.4996	3.0504	1.7463		2.9197	2.3869
H12	4.1468	2.7393	2.0382	1.0122	4.8534	4.6762	4.3607	3.0681	2.5649	2.3869	2.9197		1.6191
H13	4.1468	2.7393	2.0382	1.0122	4.8534	4.3607	4.6762	2.5649	3.0681	2.9197	2.3869	1.6191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.756	C1	C2	H8	109.781
C1	C2	H9	109.781	C2	C1	H5	111.424
C2	C1	H6	111.007	C2	C1	H7	111.007
C2	C3	N4	115.809	C2	C3	H10	109.474
C2	C3	H11	109.474	C3	C2	H8	108.980
C3	C2	H9	108.980	C3	N4	H12	109.839
C3	N4	H13	109.839	N4	C3	H10	107.724
N4	C3	H11	107.724	H5	C1	H6	107.783
H5	C1	H7	107.783	H6	C1	H7	107.669
H8	C2	H9	106.354	H10	C3	H11	106.196
H12	N4	H13	106.218

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)