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	hartrees
Energy at 0K	-173.981449
Energy at 298.15K	-173.991996
HF Energy	-173.300240
Nuclear repulsion energy	131.450207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3591	3591	0.75
2	A'	3224	3224	32.85
3	A'	3135	3135	43.70
4	A'	3131	3131	33.74
5	A'	3118	3118	17.16
6	A'	1722	1722	23.10
7	A'	1578	1578	2.72
8	A'	1564	1564	0.97
9	A'	1553	1553	0.08
10	A'	1480	1480	0.80
11	A'	1465	1465	6.20
12	A'	1376	1376	11.77
13	A'	1188	1188	6.99
14	A'	1141	1141	12.48
15	A'	1082	1082	1.49
16	A'	967	967	129.18
17	A'	889	889	67.94
18	A'	460	460	3.04
19	A'	274	274	4.21
20	A"	3679	3679	0.26
21	A"	3217	3217	52.63
22	A"	3184	3184	44.04
23	A"	3157	3157	3.18
24	A"	1568	1568	5.51
25	A"	1436	1436	0.51
26	A"	1372	1372	0.50
27	A"	1295	1295	0.00
28	A"	1067	1067	0.19
29	A"	889	889	1.58
30	A"	763	763	1.16
31	A"	309	309	50.46
32	A"	239	239	5.31
33	A"	140	140	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	1.425	1.289	0.000
C2	0.000	0.745	0.000
C3	-0.051	-0.782	0.000
N4	-1.388	-1.375	0.000
H5	1.435	2.377	0.000
H6	1.970	0.949	0.879
H7	1.970	0.949	-0.879
H8	-0.538	1.117	0.875
H9	-0.538	1.117	-0.875
H10	0.483	-1.161	-0.873
H11	0.483	-1.161	0.873
H12	-1.899	-1.040	-0.807
H13	-1.899	-1.040	0.807

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5254	2.5432	3.8740	1.0873	1.0887	1.0887	2.1560	2.1560	2.7661	2.7661	4.1387	4.1387
C2	1.5254		1.5282	2.5337	2.1726	2.1666	2.1666	1.0919	1.0919	2.1512	2.1512	2.7289	2.7289
C3	2.5432	1.5282		1.4625	3.4905	2.8021	2.8021	2.1465	2.1465	1.0908	1.0908	2.0335	2.0335
N4	3.8740	2.5337	1.4625		4.6945	4.1767	4.1767	2.7737	2.7737	2.0753	2.0753	1.0124	1.0124
H5	1.0873	2.1726	3.4905	4.6945		1.7595	1.7595	2.4990	2.4990	3.7656	3.7656	4.8418	4.8418
H6	1.0887	2.1666	2.8021	4.1767	1.7595		1.7585	2.5131	3.0647	3.1196	2.5810	4.6658	4.3510
H7	1.0887	2.1666	2.8021	4.1767	1.7595	1.7585		3.0647	2.5131	2.5810	3.1196	4.3510	4.6658
H8	2.1560	1.0919	2.1465	2.7737	2.4990	2.5131	3.0647		1.7494	3.0466	2.4956	3.0552	2.5515
H9	2.1560	1.0919	2.1465	2.7737	2.4990	3.0647	2.5131	1.7494		2.4956	3.0466	2.5515	3.0552
H10	2.7661	2.1512	1.0908	2.0753	3.7656	3.1196	2.5810	3.0466	2.4956		1.7458	2.3859	2.9174
H11	2.7661	2.1512	1.0908	2.0753	3.7656	2.5810	3.1196	2.4956	3.0466	1.7458		2.9174	2.3859
H12	4.1387	2.7289	2.0335	1.0124	4.8418	4.6658	4.3510	3.0552	2.5515	2.3859	2.9174		1.6145
H13	4.1387	2.7289	2.0335	1.0124	4.8418	4.3510	4.6658	2.5515	3.0552	2.9174	2.3859	1.6145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.786	C1	C2	H8	109.816
C1	C2	H9	109.816	C2	C1	H5	111.414
C2	C1	H6	110.853	C2	C1	H7	110.853
C2	C3	N4	115.799	C2	C3	H10	109.309
C2	C3	H11	109.309	C3	C2	H8	108.877
C3	C2	H9	108.877	C3	N4	H12	109.152
C3	N4	H13	109.152	N4	C3	H10	107.851
N4	C3	H11	107.851	H5	C1	H6	107.921
H5	C1	H7	107.921	H6	C1	H7	107.731
H8	C2	H9	106.464	H10	C3	H11	106.302
H12	N4	H13	105.761

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)