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	hartrees
Energy at 0K	-174.062865
Energy at 298.15K	-174.073331
HF Energy	-173.308981
Nuclear repulsion energy	131.117453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3535	3349	0.09
2	A'	3161	2995	27.39
3	A'	3081	2919	45.53
4	A'	3077	2916	21.67
5	A'	3066	2904	13.32
6	A'	1698	1609	21.67
7	A'	1543	1462	3.11
8	A'	1529	1449	0.99
9	A'	1519	1439	0.08
10	A'	1443	1368	1.78
11	A'	1431	1356	5.37
12	A'	1349	1278	9.40
13	A'	1170	1108	6.48
14	A'	1122	1063	11.89
15	A'	1062	1006	1.61
16	A'	955	905	129.47
17	A'	876	830	50.68
18	A'	451	428	2.45
19	A'	267	253	3.18
20	A"	3617	3427	0.07
21	A"	3156	2990	45.90
22	A"	3126	2962	31.61
23	A"	3099	2936	1.99
24	A"	1532	1452	5.63
25	A"	1416	1342	0.28
26	A"	1345	1274	0.44
27	A"	1266	1199	0.01
28	A"	1050	995	0.09
29	A"	871	825	1.37
30	A"	752	712	1.92
31	A"	294	278	41.88
32	A"	232	219	5.52
33	A"	134	127	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.433	1.280	0.000
C2	0.000	0.748	0.000
C3	0.054	-0.782	0.000
N4	1.394	-1.370	0.000
H5	-1.452	2.372	0.000
H6	-1.980	0.936	0.883
H7	-1.980	0.936	-0.883
H8	0.538	1.124	0.878
H9	0.538	1.124	-0.878
H10	-0.480	-1.164	0.876
H11	-0.480	-1.164	-0.876
H12	1.904	-1.024	-0.806
H13	1.904	-1.024	0.806

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5286	2.5424	3.8747	1.0923	1.0938	1.0938	2.1634	2.1634	2.7658	2.7658	4.1348	4.1348
C2	1.5286		1.5307	2.5352	2.1786	2.1759	2.1759	1.0966	1.0966	2.1575	2.1575	2.7231	2.7231
C3	2.5424	1.5307		1.4630	3.4953	2.8052	2.8052	2.1537	2.1537	1.0955	1.0955	2.0324	2.0324
N4	3.8747	2.5352	1.4630		4.7012	4.1809	4.1809	2.7792	2.7792	2.0795	2.0795	1.0145	1.0145
H5	1.0923	2.1786	3.4953	4.7012		1.7664	1.7664	2.5076	2.5076	3.7706	3.7706	4.8423	4.8423
H6	1.0938	2.1759	2.8052	4.1809	1.7664		1.7653	2.5249	3.0783	2.5807	3.1232	4.6670	4.3516
H7	1.0938	2.1759	2.8052	4.1809	1.7664	1.7653		3.0783	2.5249	3.1232	2.5807	4.3516	4.6670
H8	2.1634	1.0966	2.1537	2.7792	2.5076	2.5249	3.0783		1.7566	2.5047	3.0582	3.0526	2.5470
H9	2.1634	1.0966	2.1537	2.7792	2.5076	3.0783	2.5249	1.7566		3.0582	2.5047	2.5470	3.0526
H10	2.7658	2.1575	1.0955	2.0795	3.7706	2.5807	3.1232	2.5047	3.0582		1.7529	2.9218	2.3899
H11	2.7658	2.1575	1.0955	2.0795	3.7706	3.1232	2.5807	3.0582	2.5047	1.7529		2.3899	2.9218
H12	4.1348	2.7231	2.0324	1.0145	4.8423	4.6670	4.3516	3.0526	2.5470	2.9218	2.3899		1.6116
H13	4.1348	2.7231	2.0324	1.0145	4.8423	4.3516	4.6670	2.5470	3.0526	2.3899	2.9218	1.6116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.409	C1	C2	H8	109.901
C1	C2	H9	109.901	C2	C1	H5	111.363
C2	C1	H6	111.056	C2	C1	H7	111.056
C2	C3	N4	115.719	C2	C3	H10	109.351
C2	C3	H11	109.351	C3	C2	H8	109.002
C3	C2	H9	109.002	C3	N4	H12	108.890
C3	N4	H13	108.890	N4	C3	H10	107.868
N4	C3	H11	107.868	H5	C1	H6	107.801
H5	C1	H7	107.801	H6	C1	H7	107.595
H8	C2	H9	106.442	H10	C3	H11	106.266
H12	N4	H13	105.180

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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