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	hartrees
Energy at 0K	-173.892213
Energy at 298.15K	-173.902721
HF Energy	-173.281002
Nuclear repulsion energy	130.830518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3470	3277	1.64
2	A'	3143	2968	33.94
3	A'	3066	2895	48.09
4	A'	3061	2891	22.32
5	A'	3045	2876	22.64
6	A'	1728	1632	25.07
7	A'	1562	1475	3.70
8	A'	1548	1462	1.79
9	A'	1541	1455	0.11
10	A'	1467	1386	2.09
11	A'	1449	1368	5.69
12	A'	1363	1287	9.42
13	A'	1183	1117	8.86
14	A'	1130	1067	10.28
15	A'	1074	1014	2.89
16	A'	971	917	152.86
17	A'	888	839	51.36
18	A'	457	432	2.99
19	A'	274	259	4.25
20	A"	3558	3359	0.81
21	A"	3136	2962	56.09
22	A"	3108	2935	37.52
23	A"	3077	2906	5.56
24	A"	1551	1465	6.76
25	A"	1425	1345	0.61
26	A"	1358	1283	0.44
27	A"	1285	1213	0.00
28	A"	1061	1002	0.11
29	A"	885	835	1.73
30	A"	759	717	1.76
31	A"	308	291	53.36
32	A"	237	224	5.58
33	A"	138	130	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-1.429	1.290	0.000
C2	0.000	0.748	0.000
C3	0.051	-0.783	0.000
N4	1.391	-1.378	0.000
H5	-1.440	2.387	0.000
H6	-1.979	0.948	0.886
H7	-1.979	0.948	-0.886
H8	0.542	1.123	0.882
H9	0.542	1.123	-0.882
H10	-0.485	-1.167	0.880
H11	-0.485	-1.167	-0.880
H12	1.908	-1.040	-0.814
H13	1.908	-1.040	0.814

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5287	2.5475	3.8823	1.0966	1.0978	1.0978	2.1658	2.1658	2.7757	2.7757	4.1509	4.1509
C2	1.5287		1.5317	2.5401	2.1815	2.1779	2.1779	1.1009	1.1009	2.1624	2.1624	2.7385	2.7385
C3	2.5475	1.5317		1.4663	3.5029	2.8116	2.8116	2.1570	2.1570	1.0993	1.0993	2.0438	2.0438
N4	3.8823	2.5401	1.4663		4.7100	4.1900	4.1900	2.7842	2.7842	2.0830	2.0830	1.0213	1.0213
H5	1.0966	2.1815	3.5029	4.7100		1.7737	1.7737	2.5101	2.5101	3.7836	3.7836	4.8593	4.8593
H6	1.0978	2.1779	2.8116	4.1900	1.7737		1.7729	2.5272	3.0843	2.5900	3.1349	4.6857	4.3669
H7	1.0978	2.1779	2.8116	4.1900	1.7737	1.7729		3.0843	2.5272	3.1349	2.5900	4.3669	4.6857
H8	2.1658	1.1009	2.1570	2.7842	2.5101	2.5272	3.0843		1.7632	2.5100	3.0664	3.0694	2.5594
H9	2.1658	1.1009	2.1570	2.7842	2.5101	3.0843	2.5272	1.7632		3.0664	2.5100	2.5594	3.0694
H10	2.7757	2.1624	1.0993	2.0830	3.7836	2.5900	3.1349	2.5100	3.0664		1.7595	2.9344	2.3972
H11	2.7757	2.1624	1.0993	2.0830	3.7836	3.1349	2.5900	3.0664	2.5100	1.7595		2.3972	2.9344
H12	4.1509	2.7385	2.0438	1.0213	4.8593	4.6857	4.3669	3.0694	2.5594	2.9344	2.3972		1.6279
H13	4.1509	2.7385	2.0438	1.0213	4.8593	4.3669	4.6857	2.5594	3.0694	2.3972	2.9344	1.6279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.691	C1	C2	H8	109.828
C1	C2	H9	109.828	C2	C1	H5	111.333
C2	C1	H6	110.970	C2	C1	H7	110.970
C2	C3	N4	115.810	C2	C3	H10	109.447
C2	C3	H11	109.447	C3	C2	H8	108.936
C3	C2	H9	108.936	C3	N4	H12	109.183
C3	N4	H13	109.183	N4	C3	H10	107.701
N4	C3	H11	107.701	H5	C1	H6	107.856
H5	C1	H7	107.856	H6	C1	H7	107.699
H8	C2	H9	106.422	H10	C3	H11	106.307
H12	N4	H13	105.685

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

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

States and conformations

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