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	hartrees
Energy at 0K	-173.899066
Energy at 298.15K	-173.909597
HF Energy	-173.281485
Nuclear repulsion energy	131.096953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3516	3299	0.72
2	A'	3181	2985	30.42
3	A'	3099	2908	44.38
4	A'	3095	2904	25.44
5	A'	3080	2889	18.55
6	A'	1738	1631	26.97
7	A'	1572	1475	4.48
8	A'	1559	1462	1.91
9	A'	1551	1455	0.12
10	A'	1477	1385	2.43
11	A'	1458	1368	6.22
12	A'	1371	1286	8.64
13	A'	1189	1116	7.83
14	A'	1140	1070	11.56
15	A'	1083	1016	2.39
16	A'	974	914	153.79
17	A'	893	838	56.75
18	A'	461	432	3.07
19	A'	276	259	4.28
20	A"	3602	3380	0.21
21	A"	3174	2978	49.21
22	A"	3144	2950	39.03
23	A"	3114	2922	4.56
24	A"	1562	1465	7.43
25	A"	1433	1345	0.56
26	A"	1367	1282	0.43
27	A"	1292	1212	0.00
28	A"	1067	1002	0.07
29	A"	890	835	1.76
30	A"	764	717	2.04
31	A"	309	289	54.16
32	A"	238	223	5.78
33	A"	140	131	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	1.427	1.290	0.000
C2	0.000	0.747	0.000
C3	-0.051	-0.782	0.000
N4	-1.389	-1.376	0.000
H5	1.439	2.383	0.000
H6	1.975	0.948	0.884
H7	1.975	0.948	-0.884
H8	-0.541	1.121	0.879
H9	-0.541	1.121	-0.879
H10	0.485	-1.165	-0.877
H11	0.485	-1.165	0.877
H12	-1.905	-1.042	-0.812
H13	-1.905	-1.042	0.812

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5271	2.5448	3.8784	1.0938	1.0950	1.0950	2.1627	2.1627	2.7718	2.7718	4.1479	4.1479
C2	1.5271		1.5296	2.5374	2.1795	2.1735	2.1735	1.0981	1.0981	2.1585	2.1585	2.7370	2.7370
C3	2.5448	1.5296		1.4648	3.4985	2.8069	2.8069	2.1526	2.1526	1.0967	1.0967	2.0413	2.0413
N4	3.8784	2.5374	1.4648		4.7051	4.1839	4.1839	2.7798	2.7798	2.0801	2.0801	1.0185	1.0185
H5	1.0938	2.1795	3.4985	4.7051		1.7692	1.7692	2.5081	2.5081	3.7777	3.7777	4.8562	4.8562
H6	1.0950	2.1735	2.8069	4.1839	1.7692		1.7684	2.5227	3.0779	3.1285	2.5856	4.6795	4.3618
H7	1.0950	2.1735	2.8069	4.1839	1.7692	1.7684		3.0779	2.5227	2.5856	3.1285	4.3618	4.6795
H8	2.1627	1.0981	2.1526	2.7798	2.5081	2.5227	3.0779		1.7584	3.0597	2.5054	3.0661	2.5581
H9	2.1627	1.0981	2.1526	2.7798	2.5081	3.0779	2.5227	1.7584		2.5054	3.0597	2.5581	3.0661
H10	2.7718	2.1585	1.0967	2.0801	3.7777	3.1285	2.5856	3.0597	2.5054		1.7543	2.3940	2.9294
H11	2.7718	2.1585	1.0967	2.0801	3.7777	2.5856	3.1285	2.5054	3.0597	1.7543		2.9294	2.3940
H12	4.1479	2.7370	2.0413	1.0185	4.8562	4.6795	4.3618	3.0661	2.5581	2.3940	2.9294		1.6247
H13	4.1479	2.7370	2.0413	1.0185	4.8562	4.3618	4.6795	2.5581	3.0661	2.9294	2.3940	1.6247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.723	C1	C2	H8	109.860
C1	C2	H9	109.860	C2	C1	H5	111.453
C2	C1	H6	110.902	C2	C1	H7	110.902
C2	C3	N4	115.842	C2	C3	H10	109.442
C2	C3	H11	109.442	C3	C2	H8	108.903
C3	C2	H9	108.903	C3	N4	H12	109.256
C3	N4	H13	109.256	N4	C3	H10	107.729
N4	C3	H11	107.729	H5	C1	H6	107.864
H5	C1	H7	107.864	H6	C1	H7	107.699
H8	C2	H9	106.384	H10	C3	H11	106.220
H12	N4	H13	105.794

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

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

States and conformations

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