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	hartrees
Energy at 0K	-174.119635
Energy at 298.15K	-174.130043
HF Energy	-173.354311
Nuclear repulsion energy	131.501868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3513	3348	1.21
2	A'	3157	3008	24.34
3	A'	3068	2923	67.68
4	A'	3064	2920	10.26
5	A'	3054	2910	5.93
6	A'	1654	1576	22.85
7	A'	1525	1453	6.33
8	A'	1511	1440	0.40
9	A'	1497	1427	0.02
10	A'	1416	1350	3.36
11	A'	1398	1332	5.17
12	A'	1328	1265	4.14
13	A'	1150	1096	2.58
14	A'	1113	1061	16.36
15	A'	1056	1006	0.50
16	A'	920	877	60.55
17	A'	838	798	110.64
18	A'	449	428	3.03
19	A'	264	251	3.92
20	A"	3608	3438	3.22
21	A"	3149	3001	41.93
22	A"	3123	2976	26.80
23	A"	3096	2950	0.90
24	A"	1520	1448	7.28
25	A"	1392	1327	0.23
26	A"	1333	1270	0.64
27	A"	1249	1190	0.02
28	A"	1037	988	0.10
29	A"	863	822	1.17
30	A"	748	712	1.58
31	A"	271	258	32.73
32	A"	227	217	11.37
33	A"	135	128	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-1.429	1.272	0.000
C2	0.000	0.748	0.000
C3	0.052	-0.774	0.000
N4	1.390	-1.365	0.000
H5	-1.452	2.361	0.000
H6	-1.970	0.926	0.881
H7	-1.970	0.926	-0.881
H8	0.536	1.121	0.877
H9	0.536	1.121	-0.877
H10	-0.481	-1.153	0.875
H11	-0.481	-1.153	-0.875
H12	1.907	-1.039	-0.809
H13	1.907	-1.039	0.809

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5218	2.5261	3.8599	1.0891	1.0906	1.0906	2.1566	2.1566	2.7466	2.7466	4.1383	4.1383
C2	1.5218		1.5233	2.5291	2.1702	2.1656	2.1656	1.0935	1.0935	2.1472	2.1472	2.7360	2.7360
C3	2.5261	1.5233		1.4622	3.4775	2.7849	2.7849	2.1440	2.1440	1.0924	1.0924	2.0412	2.0412
N4	3.8599	2.5291	1.4622		4.6859	4.1608	4.1608	2.7714	2.7714	2.0764	2.0764	1.0144	1.0144
H5	1.0891	2.1702	3.4775	4.6859		1.7624	1.7624	2.5013	2.5013	3.7490	3.7490	4.8475	4.8475
H6	1.0906	2.1656	2.7849	4.1608	1.7624		1.7615	2.5137	3.0675	2.5566	3.1014	4.6638	4.3475
H7	1.0906	2.1656	2.7849	4.1608	1.7624	1.7615		3.0675	2.5137	3.1014	2.5566	4.3475	4.6638
H8	2.1566	1.0935	2.1440	2.7714	2.5013	2.5137	3.0675		1.7547	2.4911	3.0456	3.0647	2.5597
H9	2.1566	1.0935	2.1440	2.7714	2.5013	3.0675	2.5137	1.7547		3.0456	2.4911	2.5597	3.0647
H10	2.7466	2.1472	1.0924	2.0764	3.7490	2.5566	3.1014	2.4911	3.0456		1.7498	2.9249	2.3923
H11	2.7466	2.1472	1.0924	2.0764	3.7490	3.1014	2.5566	3.0456	2.4911	1.7498		2.3923	2.9249
H12	4.1383	2.7360	2.0412	1.0144	4.8475	4.6638	4.3475	3.0647	2.5597	2.9249	2.3923		1.6185
H13	4.1383	2.7360	2.0412	1.0144	4.8475	4.3475	4.6638	2.5597	3.0647	2.3923	2.9249	1.6185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.108	C1	C2	H8	110.015
C1	C2	H9	110.015	C2	C1	H5	111.361
C2	C1	H6	110.902	C2	C1	H7	110.902
C2	C3	N4	115.785	C2	C3	H10	109.241
C2	C3	H11	109.241	C3	C2	H8	108.921
C3	C2	H9	108.921	C3	N4	H12	109.686
C3	N4	H13	109.686	N4	C3	H10	107.867
N4	C3	H11	107.867	H5	C1	H6	107.903
H5	C1	H7	107.903	H6	C1	H7	107.717
H8	C2	H9	106.701	H10	C3	H11	106.436
H12	N4	H13	105.831

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

using model chemistry: MP2/aug-cc-pVTZ

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: MP2/aug-cc-pVTZ

States and conformations

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