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	hartrees
Energy at 0K	-174.120351
Energy at 298.15K	-174.113715
HF Energy	-173.281108
Nuclear repulsion energy	131.391109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3728	3728	0.42
2	A'	3252	3252	55.12
3	A'	3194	3194	65.83
4	A'	3181	3181	17.94
5	A'	3166	3166	46.35
6	A'	1846	1846	28.59
7	A'	1646	1646	3.08
8	A'	1632	1632	0.82
9	A'	1622	1622	0.18
10	A'	1554	1554	0.35
11	A'	1540	1540	8.28
12	A'	1445	1445	12.90
13	A'	1230	1230	7.39
14	A'	1171	1171	26.95
15	A'	1097	1097	2.34
16	A'	1000	1000	159.69
17	A'	915	915	75.05
18	A'	475	475	2.91
19	A'	288	288	4.15
20	A"	3810	3810	0.00
21	A"	3249	3249	121.74
22	A"	3232	3232	16.36
23	A"	3192	3192	10.56
24	A"	1636	1636	5.40
25	A"	1513	1513	0.16
26	A"	1437	1437	0.32
27	A"	1351	1351	0.03
28	A"	1113	1113	0.10
29	A"	925	925	1.36
30	A"	794	794	1.23
31	A"	310	310	54.11
32	A"	249	249	6.51
33	A"	142	142	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.430	1.292	0.000
C2	0.000	0.748	0.000
C3	-0.056	-0.784	0.000
N4	-1.388	-1.370	0.000
H5	1.440	2.380	0.000
H6	1.979	0.957	0.879
H7	1.979	0.957	-0.879
H8	-0.535	1.125	0.873
H9	-0.535	1.125	-0.873
H10	0.474	-1.168	-0.871
H11	0.474	-1.168	0.871
H12	-1.905	-1.077	-0.805
H13	-1.905	-1.077	0.805

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5305	2.5535	3.8766	1.0882	1.0892	1.0892	2.1574	2.1574	2.7793	2.7793	4.1695	4.1695
C2	1.5305		1.5332	2.5316	2.1768	2.1759	2.1759	1.0915	1.0915	2.1571	2.1571	2.7579	2.7579
C3	2.5535	1.5332		1.4551	3.5003	2.8188	2.8188	2.1536	2.1536	1.0892	1.0892	2.0381	2.0381
N4	3.8766	2.5316	1.4551		4.6966	4.1860	4.1860	2.7771	2.7771	2.0657	2.0657	1.0008	1.0008
H5	1.0882	2.1768	3.5003	4.6966		1.7579	1.7579	2.4980	2.4980	3.7789	3.7789	4.8772	4.8772
H6	1.0892	2.1759	2.8188	4.1860	1.7579		1.7578	2.5203	3.0696	3.1370	2.6037	4.6967	4.3850
H7	1.0892	2.1759	2.8188	4.1860	1.7579	1.7578		3.0696	2.5203	2.6037	3.1370	4.3850	4.6967
H8	2.1574	1.0915	2.1536	2.7771	2.4980	2.5203	3.0696		1.7468	3.0526	2.5052	3.0889	2.5938
H9	2.1574	1.0915	2.1536	2.7771	2.4980	3.0696	2.5203	1.7468		2.5052	3.0526	2.5938	3.0889
H10	2.7793	2.1571	1.0892	2.0657	3.7789	3.1370	2.6037	3.0526	2.5052		1.7417	2.3819	2.9118
H11	2.7793	2.1571	1.0892	2.0657	3.7789	2.6037	3.1370	2.5052	3.0526	1.7417		2.9118	2.3819
H12	4.1695	2.7579	2.0381	1.0008	4.8772	4.6967	4.3850	3.0889	2.5938	2.3819	2.9118		1.6106
H13	4.1695	2.7579	2.0381	1.0008	4.8772	4.3850	4.6967	2.5938	3.0889	2.9118	2.3819	1.6106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.915	C1	C2	H8	109.594
C1	C2	H9	109.594	C2	C1	H5	111.335
C2	C1	H6	111.194	C2	C1	H7	111.194
C2	C3	N4	115.792	C2	C3	H10	109.523
C2	C3	H11	109.523	C3	C2	H8	109.116
C3	C2	H9	109.116	C3	N4	H12	110.814
C3	N4	H13	110.814	N4	C3	H10	107.694
N4	C3	H11	107.694	H5	C1	H6	107.673
H5	C1	H7	107.673	H6	C1	H7	107.588
H8	C2	H9	106.287	H10	C3	H11	106.171
H12	N4	H13	107.156

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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