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	hartrees
Energy at 0K	-173.893177
Energy at 298.15K	-173.903683
HF Energy	-173.280944
Nuclear repulsion energy	130.795814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3466	3301	1.75
2	A'	3138	2989	34.82
3	A'	3061	2915	49.31
4	A'	3057	2911	22.42
5	A'	3040	2895	23.26
6	A'	1728	1645	24.86
7	A'	1561	1486	3.56
8	A'	1547	1473	1.76
9	A'	1539	1466	0.11
10	A'	1466	1396	2.08
11	A'	1447	1378	5.62
12	A'	1362	1297	9.56
13	A'	1182	1125	9.00
14	A'	1128	1075	10.12
15	A'	1073	1022	2.96
16	A'	971	924	153.20
17	A'	887	845	50.83
18	A'	457	435	3.00
19	A'	273	260	4.25
20	A"	3554	3385	0.89
21	A"	3132	2983	57.45
22	A"	3104	2956	38.21
23	A"	3073	2926	5.83
24	A"	1550	1476	6.65
25	A"	1424	1356	0.61
26	A"	1357	1292	0.44
27	A"	1284	1222	0.00
28	A"	1060	1010	0.11
29	A"	884	842	1.72
30	A"	759	723	1.71
31	A"	308	294	53.27
32	A"	237	226	5.55
33	A"	138	131	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-1.429	1.291	0.000
C2	0.000	0.748	0.000
C3	0.051	-0.783	0.000
N4	1.391	-1.378	0.000
H5	-1.440	2.388	0.000
H6	-1.980	0.949	0.887
H7	-1.980	0.949	-0.887
H8	0.542	1.123	0.882
H9	0.542	1.123	-0.882
H10	-0.485	-1.168	0.880
H11	-0.485	-1.168	-0.880
H12	1.908	-1.041	-0.814
H13	1.908	-1.041	0.814

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5291	2.5484	3.8837	1.0969	1.0981	1.0981	2.1663	2.1663	2.7767	2.7767	4.1523	4.1523
C2	1.5291		1.5322	2.5411	2.1823	2.1786	2.1786	1.1012	1.1012	2.1630	2.1630	2.7395	2.7395
C3	2.5484	1.5322		1.4667	3.5042	2.8128	2.8128	2.1576	2.1576	1.0997	1.0997	2.0443	2.0443
N4	3.8837	2.5411	1.4667		4.7117	4.1916	4.1916	2.7852	2.7852	2.0835	2.0835	1.0215	1.0215
H5	1.0969	2.1823	3.5042	4.7117		1.7741	1.7741	2.5109	2.5109	3.7850	3.7850	4.8611	4.8611
H6	1.0981	2.1786	2.8128	4.1916	1.7741		1.7733	2.5280	3.0852	2.5912	3.1362	4.6873	4.3685
H7	1.0981	2.1786	2.8128	4.1916	1.7741	1.7733		3.0852	2.5280	3.1362	2.5912	4.3685	4.6873
H8	2.1663	1.1012	2.1576	2.7852	2.5109	2.5280	3.0852		1.7636	2.5108	3.0672	3.0704	2.5605
H9	2.1663	1.1012	2.1576	2.7852	2.5109	3.0852	2.5280	1.7636		3.0672	2.5108	2.5605	3.0704
H10	2.7767	2.1630	1.0997	2.0835	3.7850	2.5912	3.1362	2.5108	3.0672		1.7599	2.9350	2.3977
H11	2.7767	2.1630	1.0997	2.0835	3.7850	3.1362	2.5912	3.0672	2.5108	1.7599		2.3977	2.9350
H12	4.1523	2.7395	2.0443	1.0215	4.8611	4.6873	4.3685	3.0704	2.5605	2.9350	2.3977		1.6281
H13	4.1523	2.7395	2.0443	1.0215	4.8611	4.3685	4.6873	2.5605	3.0704	2.3977	2.9350	1.6281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.707	C1	C2	H8	109.828
C1	C2	H9	109.828	C2	C1	H5	111.347
C2	C1	H6	110.976	C2	C1	H7	110.976
C2	C3	N4	115.830	C2	C3	H10	109.446
C2	C3	H11	109.446	C3	C2	H8	108.932
C3	C2	H9	108.932	C3	N4	H12	109.181
C3	N4	H13	109.181	N4	C3	H10	107.694
N4	C3	H11	107.694	H5	C1	H6	107.846
H5	C1	H7	107.846	H6	C1	H7	107.691
H8	C2	H9	106.410	H10	C3	H11	106.301
H12	N4	H13	105.678

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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