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	hartrees
Energy at 0K	-174.168860
Energy at 298.15K	-174.179250
HF Energy	-173.349088
Nuclear repulsion energy	131.085016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3493	3447
2	A'	3106	3065
3	A'	3027	2988
4	A'	3023	2984
5	A'	3010	2971
6	A'	1661	1639
7	A'	1518	1498
8	A'	1506	1486
9	A'	1493	1473
10	A'	1417	1398
11	A'	1403	1385
12	A'	1328	1311
13	A'	1144	1129
14	A'	1104	1090
15	A'	1044	1030
16	A'	920	908
17	A'	845	833
18	A'	446	440
19	A'	264	261
20	A"	3578	3531
21	A"	3098	3057
22	A"	3072	3031
23	A"	3043	3003
24	A"	1510	1490
25	A"	1391	1372
26	A"	1325	1308
27	A"	1244	1227
28	A"	1034	1020
29	A"	859	847
30	A"	742	732
31	A"	274	270
32	A"	227	224
33	A"	131	129

Atom	x (Å)	y (Å)	z (Å)
C1	1.437	1.277	0.000
C2	0.000	0.753	0.000
C3	-0.055	-0.777	0.000
N4	-1.396	-1.368	0.000
H5	1.467	2.369	0.000
H6	1.980	0.926	0.883
H7	1.980	0.926	-0.883
H8	-0.537	1.129	0.880
H9	-0.537	1.129	-0.880
H10	0.479	-1.159	-0.877
H11	0.479	-1.159	0.877
H12	-1.915	-1.048	-0.812
H13	-1.915	-1.048	0.812

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5297	2.5390	3.8762	1.0924	1.0940	1.0940	2.1661	2.1661	2.7605	2.7605	4.1591	4.1591
C2	1.5297		1.5313	2.5395	2.1826	2.1746	2.1746	1.0969	1.0969	2.1575	2.1575	2.7510	2.7510
C3	2.5390	1.5313		1.4657	3.4951	2.7970	2.7970	2.1539	2.1539	1.0958	1.0958	2.0474	2.0474
N4	3.8762	2.5395	1.4657		4.7080	4.1765	4.1765	2.7835	2.7835	2.0811	2.0811	1.0157	1.0157
H5	1.0924	2.1826	3.4951	4.7080		1.7671	1.7671	2.5154	2.5154	3.7672	3.7672	4.8754	4.8754
H6	1.0940	2.1746	2.7970	4.1765	1.7671		1.7665	2.5243	3.0790	3.1146	2.5693	4.6838	4.3667
H7	1.0940	2.1746	2.7970	4.1765	1.7671	1.7665		3.0790	2.5243	2.5693	3.1146	4.3667	4.6838
H8	2.1661	1.0969	2.1539	2.7835	2.5154	2.5243	3.0790		1.7595	3.0583	2.5031	3.0820	2.5768
H9	2.1661	1.0969	2.1539	2.7835	2.5154	3.0790	2.5243	1.7595		2.5031	3.0583	2.5768	3.0820
H10	2.7605	2.1575	1.0958	2.0811	3.7672	3.1146	2.5693	3.0583	2.5031		1.7547	2.3974	2.9323
H11	2.7605	2.1575	1.0958	2.0811	3.7672	2.5693	3.1146	2.5031	3.0583	1.7547		2.9323	2.3974
H12	4.1591	2.7510	2.0474	1.0157	4.8754	4.6838	4.3667	3.0820	2.5768	2.3974	2.9323		1.6248
H13	4.1591	2.7510	2.0474	1.0157	4.8754	4.3667	4.6838	2.5768	3.0820	2.9323	2.3974	1.6248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.084	C1	C2	H8	110.019
C1	C2	H9	110.019	C2	C1	H5	111.599
C2	C1	H6	110.866	C2	C1	H7	110.866
C2	C3	N4	115.834	C2	C3	H10	109.301
C2	C3	H11	109.301	C3	C2	H8	108.954
C3	C2	H9	108.954	C3	N4	H12	109.866
C3	N4	H13	109.866	N4	C3	H10	107.802
N4	C3	H11	107.802	H5	C1	H6	107.839
H5	C1	H7	107.839	H6	C1	H7	107.671
H8	C2	H9	106.651	H10	C3	H11	106.386
H12	N4	H13	106.229

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

using model chemistry: CCSD(T)/6-311+G(3df,2p)

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: CCSD(T)/6-311+G(3df,2p)

States and conformations

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