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	hartrees
Energy at 0K	-173.947888
Energy at 298.15K	-173.958355
HF Energy	-173.304673
Nuclear repulsion energy	131.392907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3574	3357	0.47
2	A'	3215	3019	29.69
3	A'	3119	2929	69.88
4	A'	3115	2926	12.86
5	A'	3105	2916	15.63
6	A'	1699	1596	34.34
7	A'	1554	1459	6.00
8	A'	1541	1447	0.91
9	A'	1531	1438	0.01
10	A'	1457	1368	3.22
11	A'	1438	1350	7.57
12	A'	1358	1275	6.48
13	A'	1169	1098	3.09
14	A'	1132	1064	18.78
15	A'	1073	1008	0.39
16	A'	934	877	71.50
17	A'	854	802	139.77
18	A'	457	429	3.82
19	A'	271	255	5.00
20	A"	3684	3460	2.41
21	A"	3209	3014	49.59
22	A"	3181	2988	36.46
23	A"	3153	2961	3.12
24	A"	1548	1453	8.18
25	A"	1411	1326	0.22
26	A"	1355	1272	0.52
27	A"	1276	1198	0.04
28	A"	1050	987	0.12
29	A"	881	827	1.33
30	A"	762	715	0.89
31	A"	281	264	47.82
32	A"	234	220	9.84
33	A"	137	128	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	1.428	1.284	0.000
C2	0.000	0.752	0.000
C3	-0.053	-0.774	0.000
N4	-1.386	-1.373	0.000
H5	1.448	2.373	0.000
H6	1.970	0.940	0.881
H7	1.970	0.940	-0.881
H8	-0.537	1.124	0.877
H9	-0.537	1.124	-0.877
H10	0.478	-1.153	-0.875
H11	0.478	-1.153	0.875
H12	-1.910	-1.079	-0.816
H13	-1.910	-1.079	0.816

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5241	2.5355	3.8708	1.0887	1.0899	1.0899	2.1575	2.1575	2.7579	2.7579	4.1711	4.1711
C2	1.5241		1.5267	2.5375	2.1734	2.1660	2.1660	1.0929	1.0929	2.1501	2.1501	2.7693	2.7693
C3	2.5355	1.5267		1.4616	3.4861	2.7934	2.7934	2.1452	2.1452	1.0917	1.0917	2.0514	2.0514
N4	3.8708	2.5375	1.4616		4.6975	4.1698	4.1698	2.7795	2.7795	2.0713	2.0713	1.0135	1.0135
H5	1.0887	2.1734	3.4861	4.6975		1.7612	1.7612	2.5035	2.5035	3.7596	3.7596	4.8848	4.8848
H6	1.0899	2.1660	2.7934	4.1698	1.7612		1.7614	2.5133	3.0667	3.1120	2.5694	4.6915	4.3745
H7	1.0899	2.1660	2.7934	4.1698	1.7612	1.7614		3.0667	2.5133	2.5694	3.1120	4.3745	4.6915
H8	2.1575	1.0929	2.1452	2.7795	2.5035	2.5133	3.0667		1.7532	3.0464	2.4924	3.0993	2.5970
H9	2.1575	1.0929	2.1452	2.7795	2.5035	3.0667	2.5133	1.7532		2.4924	3.0464	2.5970	3.0993
H10	2.7579	2.1501	1.0917	2.0713	3.7596	3.1120	2.5694	3.0464	2.4924		1.7500	2.3905	2.9276
H11	2.7579	2.1501	1.0917	2.0713	3.7596	2.5694	3.1120	2.4924	3.0464	1.7500		2.9276	2.3905
H12	4.1711	2.7693	2.0514	1.0135	4.8848	4.6915	4.3745	3.0993	2.5970	2.3905	2.9276		1.6321
H13	4.1711	2.7693	2.0514	1.0135	4.8848	4.3745	4.6915	2.5970	3.0993	2.9276	2.3905	1.6321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.423	C1	C2	H8	109.961
C1	C2	H9	109.961	C2	C1	H5	111.482
C2	C1	H6	110.816	C2	C1	H7	110.816
C2	C3	N4	116.221	C2	C3	H10	109.274
C2	C3	H11	109.274	C3	C2	H8	108.828
C3	C2	H9	108.828	C3	N4	H12	110.648
C3	N4	H13	110.648	N4	C3	H10	107.547
N4	C3	H11	107.547	H5	C1	H6	107.882
H5	C1	H7	107.882	H6	C1	H7	107.815
H8	C2	H9	106.661	H10	C3	H11	106.546
H12	N4	H13	107.248

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

using model chemistry: MP2=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: MP2=FULL/6-31+G**

States and conformations

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