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	hartrees
Energy at 0K	-172.755518
Energy at 298.15K	-172.765965
HF Energy	-172.320931
Nuclear repulsion energy	129.221673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3357	3254	4.77
2	A'	3089	2993	31.80
3	A'	3029	2935	46.74
4	A'	3021	2928	12.82
5	A'	3013	2920	14.20
6	A'	1747	1693	16.57
7	A'	1582	1533	4.56
8	A'	1569	1520	1.11
9	A'	1557	1509	0.37
10	A'	1475	1429	4.78
11	A'	1417	1373	0.77
12	A'	1366	1324	2.89
13	A'	1155	1120	4.97
14	A'	1066	1033	6.00
15	A'	998	968	8.42
16	A'	900	873	79.94
17	A'	801	776	162.34
18	A'	443	429	2.22
19	A'	265	257	4.49
20	A"	3449	3343	4.57
21	A"	3088	2992	71.30
22	A"	3070	2976	9.37
23	A"	3042	2948	1.75
24	A"	1579	1531	6.92
25	A"	1416	1373	1.19
26	A"	1367	1325	0.45
27	A"	1292	1252	0.04
28	A"	1070	1037	0.01
29	A"	890	862	2.30
30	A"	756	733	2.30
31	A"	311	301	58.88
32	A"	232	225	5.08
33	A"	137	132	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	1.460	1.302	0.000
C2	0.000	0.766	0.000
C3	-0.047	-0.791	0.000
N4	-1.423	-1.388	0.000
H5	1.479	2.401	0.000
H6	1.997	0.945	0.892
H7	1.997	0.945	-0.892
H8	-0.535	1.138	0.889
H9	-0.535	1.138	-0.889
H10	0.482	-1.170	-0.887
H11	0.482	-1.170	0.887
H12	-1.942	-1.084	-0.834
H13	-1.942	-1.084	0.834

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5549	2.5784	3.9428	1.0993	1.1003	1.1003	2.1902	2.1902	2.8022	2.8022	4.2374	4.2374
C2	1.5549		1.5577	2.5820	2.2042	2.1942	2.1942	1.1022	1.1022	2.1836	2.1836	2.8086	2.8086
C3	2.5784	1.5577		1.5001	3.5374	2.8257	2.8257	2.1790	2.1790	1.1003	1.1003	2.0906	2.0906
N4	3.9428	2.5820	1.5001		4.7725	4.2348	4.2348	2.8214	2.8214	2.1125	2.1125	1.0278	1.0278
H5	1.0993	2.2042	3.5374	4.7725		1.7840	1.7840	2.5380	2.5380	3.8120	3.8120	4.9536	4.9536
H6	1.1003	2.1942	2.8257	4.2348	1.7840		1.7832	2.5394	3.1015	3.1516	2.6016	4.7544	4.4308
H7	1.1003	2.1942	2.8257	4.2348	1.7840	1.7832		3.1015	2.5394	2.6016	3.1516	4.4308	4.7544
H8	2.1902	1.1022	2.1790	2.8214	2.5380	2.5394	3.1015		1.7780	3.0847	2.5220	3.1436	2.6302
H9	2.1902	1.1022	2.1790	2.8214	2.5380	3.1015	2.5394	1.7780		2.5220	3.0847	2.6302	3.1436
H10	2.8022	2.1836	1.1003	2.1125	3.8120	3.1516	2.6016	3.0847	2.5220		1.7746	2.4255	2.9735
H11	2.8022	2.1836	1.1003	2.1125	3.8120	2.6016	3.1516	2.5220	3.0847	1.7746		2.9735	2.4255
H12	4.2374	2.8086	2.0906	1.0278	4.9536	4.7544	4.4308	3.1436	2.6302	2.4255	2.9735		1.6671
H13	4.2374	2.8086	2.0906	1.0278	4.9536	4.4308	4.7544	2.6302	3.1436	2.9735	2.4255	1.6671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.870	C1	C2	H8	109.864
C1	C2	H9	109.864	C2	C1	H5	111.136
C2	C1	H6	110.283	C2	C1	H7	110.283
C2	C3	N4	115.206	C2	C3	H10	109.269
C2	C3	H11	109.269	C3	C2	H8	108.807
C3	C2	H9	108.807	C3	N4	H12	110.179
C3	N4	H13	110.179	N4	C3	H10	107.666
N4	C3	H11	107.666	H5	C1	H6	108.401
H5	C1	H7	108.401	H6	C1	H7	108.255
H8	C2	H9	107.520	H10	C3	H11	107.489
H12	N4	H13	108.385

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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