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	hartrees
Energy at 0K	-173.991503
Energy at 298.15K	-174.001977
HF Energy	-173.304784
Nuclear repulsion energy	131.337802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3604	3357	0.77
2	A'	3211	2992	34.92
3	A'	3127	2913	67.26
4	A'	3122	2909	12.59
5	A'	3111	2898	23.00
6	A'	1719	1601	33.44
7	A'	1563	1456	4.78
8	A'	1550	1444	1.37
9	A'	1542	1436	0.04
10	A'	1471	1370	1.79
11	A'	1458	1358	8.40
12	A'	1371	1277	8.12
13	A'	1175	1095	3.64
14	A'	1139	1061	18.41
15	A'	1075	1002	0.38
16	A'	944	879	85.34
17	A'	867	808	116.37
18	A'	459	427	3.67
19	A'	273	255	4.94
20	A"	3698	3445	0.80
21	A"	3204	2985	61.73
22	A"	3179	2962	36.60
23	A"	3149	2934	3.81
24	A"	1554	1447	7.35
25	A"	1423	1326	0.23
26	A"	1362	1269	0.49
27	A"	1284	1197	0.04
28	A"	1058	985	0.19
29	A"	884	824	1.31
30	A"	762	710	0.66
31	A"	277	258	48.17
32	A"	232	216	9.22
33	A"	135	126	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	1.430	1.287	0.000
C2	0.000	0.751	0.000
C3	-0.053	-0.777	0.000
N4	-1.388	-1.373	0.000
H5	1.446	2.375	0.000
H6	1.972	0.944	0.880
H7	1.972	0.944	-0.880
H8	-0.536	1.123	0.876
H9	-0.536	1.123	-0.876
H10	0.479	-1.156	-0.874
H11	0.479	-1.156	0.874
H12	-1.909	-1.075	-0.814
H13	-1.909	-1.075	0.814

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5266	2.5408	3.8745	1.0881	1.0895	1.0895	2.1583	2.1583	2.7632	2.7632	4.1697	4.1697
C2	1.5266		1.5290	2.5372	2.1739	2.1682	2.1682	1.0923	1.0923	2.1520	2.1520	2.7642	2.7642
C3	2.5408	1.5290		1.4623	3.4896	2.7991	2.7991	2.1474	2.1474	1.0910	1.0910	2.0490	2.0490
N4	3.8745	2.5372	1.4623		4.6981	4.1751	4.1751	2.7787	2.7787	2.0728	2.0728	1.0115	1.0115
H5	1.0881	2.1739	3.4896	4.6981		1.7607	1.7607	2.5023	2.5023	3.7637	3.7637	4.8801	4.8801
H6	1.0895	2.1682	2.7991	4.1751	1.7607		1.7606	2.5148	3.0673	3.1171	2.5766	4.6914	4.3753
H7	1.0895	2.1682	2.7991	4.1751	1.7607	1.7606		3.0673	2.5148	2.5766	3.1171	4.3753	4.6914
H8	2.1583	1.0923	2.1474	2.7787	2.5023	2.5148	3.0673		1.7516	3.0475	2.4951	3.0935	2.5920
H9	2.1583	1.0923	2.1474	2.7787	2.5023	3.0673	2.5148	1.7516		2.4951	3.0475	2.5920	3.0935
H10	2.7632	2.1520	1.0910	2.0728	3.7637	3.1171	2.5766	3.0475	2.4951		1.7480	2.3904	2.9257
H11	2.7632	2.1520	1.0910	2.0728	3.7637	2.5766	3.1171	2.4951	3.0475	1.7480		2.9257	2.3904
H12	4.1697	2.7642	2.0490	1.0115	4.8801	4.6914	4.3753	3.0935	2.5920	2.3904	2.9257		1.6279
H13	4.1697	2.7642	2.0490	1.0115	4.8801	4.3753	4.6914	2.5920	3.0935	2.9257	2.3904	1.6279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.513	C1	C2	H8	109.895
C1	C2	H9	109.895	C2	C1	H5	111.385
C2	C1	H6	110.844	C2	C1	H7	110.844
C2	C3	N4	116.011	C2	C3	H10	109.306
C2	C3	H11	109.306	C3	C2	H8	108.874
C3	C2	H9	108.874	C3	N4	H12	110.520
C3	N4	H13	110.520	N4	C3	H10	107.659
N4	C3	H11	107.659	H5	C1	H6	107.910
H5	C1	H7	107.910	H6	C1	H7	107.802
H8	C2	H9	106.608	H10	C3	H11	106.476
H12	N4	H13	107.165

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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