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	hartrees
Energy at 0K	-173.597017
Energy at 298.15K	-173.607448
HF Energy	-173.208767
Nuclear repulsion energy	129.657853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3531	3379	0.39
2	A'	3143	3007	37.69
3	A'	3059	2927	63.94
4	A'	3054	2922	15.91
5	A'	3039	2907	21.78
6	A'	1748	1673	26.93
7	A'	1581	1513	4.14
8	A'	1568	1500	1.33
9	A'	1557	1490	0.33
10	A'	1485	1421	4.15
11	A'	1439	1377	1.83
12	A'	1383	1324	4.19
13	A'	1167	1117	3.11
14	A'	1112	1064	10.96
15	A'	1052	1007	1.25
16	A'	913	874	38.11
17	A'	730	698	298.08
18	A'	456	437	4.62
19	A'	271	260	5.18
20	A"	3653	3495	0.12
21	A"	3136	3001	69.03
22	A"	3113	2979	34.88
23	A"	3078	2945	6.75
24	A"	1575	1507	6.72
25	A"	1415	1354	0.09
26	A"	1367	1308	0.16
27	A"	1304	1247	0.08
28	A"	1061	1015	0.15
29	A"	892	854	1.15
30	A"	764	731	1.98
31	A"	293	281	56.64
32	A"	228	218	6.53
33	A"	139	133	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	1.444	1.317	0.000
C2	0.000	0.765	0.000
C3	-0.049	-0.785	0.000
N4	-1.401	-1.387	0.000
H5	1.451	2.415	0.000
H6	1.992	0.973	0.889
H7	1.992	0.973	-0.889
H8	-0.544	1.136	0.885
H9	-0.544	1.136	-0.885
H10	0.486	-1.166	-0.883
H11	0.486	-1.166	0.883
H12	-1.939	-1.185	-0.839
H13	-1.939	-1.185	0.839

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5458	2.5778	3.9251	1.0985	1.1000	1.1000	2.1833	2.1833	2.8037	2.8037	4.2903	4.2903
C2	1.5458		1.5500	2.5680	2.1978	2.1915	2.1915	1.1030	1.1030	2.1776	2.1776	2.8749	2.8749
C3	2.5778	1.5500		1.4802	3.5342	2.8368	2.8368	2.1715	2.1715	1.1006	1.1006	2.1061	2.1061
N4	3.9251	2.5680	1.4802		4.7535	4.2281	4.2281	2.8079	2.8079	2.0951	2.0951	1.0171	1.0171
H5	1.0985	2.1978	3.5342	4.7535		1.7788	1.7788	2.5299	2.5299	3.8126	3.8126	5.0159	5.0159
H6	1.1000	2.1915	2.8368	4.2281	1.7788		1.7788	2.5412	3.0993	3.1599	2.6160	4.8061	4.4848
H7	1.1000	2.1915	2.8368	4.2281	1.7788	1.7788		3.0993	2.5412	2.6160	3.1599	4.4848	4.8061
H8	2.1833	1.1030	2.1715	2.8079	2.5299	2.5412	3.0993		1.7698	3.0794	2.5213	3.2100	2.7081
H9	2.1833	1.1030	2.1715	2.8079	2.5299	3.0993	2.5412	1.7698		2.5213	3.0794	2.7081	3.2100
H10	2.8037	2.1776	1.1006	2.0951	3.8126	3.1599	2.6160	3.0794	2.5213		1.7660	2.4253	2.9742
H11	2.8037	2.1776	1.1006	2.0951	3.8126	2.6160	3.1599	2.5213	3.0794	1.7660		2.9742	2.4253
H12	4.2903	2.8749	2.1061	1.0171	5.0159	4.8061	4.4848	3.2100	2.7081	2.4253	2.9742		1.6782
H13	4.2903	2.8749	2.1061	1.0171	5.0159	4.4848	4.8061	2.7081	3.2100	2.9742	2.4253	1.6782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.753	C1	C2	H8	109.902
C1	C2	H9	109.902	C2	C1	H5	111.307
C2	C1	H6	110.728	C2	C1	H7	110.728
C2	C3	N4	115.858	C2	C3	H10	109.311
C2	C3	H11	109.311	C3	C2	H8	108.698
C3	C2	H9	108.698	C3	N4	H12	113.699
C3	N4	H13	113.699	N4	C3	H10	107.634
N4	C3	H11	107.634	H5	C1	H6	108.017
H5	C1	H7	108.017	H6	C1	H7	107.915
H8	C2	H9	106.694	H10	C3	H11	106.704
H12	N4	H13	111.181

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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