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	hartrees
Energy at 0K	-174.010214
Energy at 298.15K	-174.020615
HF Energy	-173.310290
Nuclear repulsion energy	130.469217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3520	3520	2.00
2	A'	3144	3144	34.22
3	A'	3064	3064	63.53
4	A'	3058	3058	12.99
5	A'	3049	3049	21.88
6	A'	1666	1666	22.35
7	A'	1506	1506	4.58
8	A'	1494	1494	0.96
9	A'	1484	1484	0.05
10	A'	1412	1412	0.65
11	A'	1406	1406	7.70
12	A'	1323	1323	6.22
13	A'	1149	1149	3.46
14	A'	1117	1117	16.82
15	A'	1056	1056	0.37
16	A'	925	925	79.78
17	A'	853	853	78.24
18	A'	448	448	2.97
19	A'	266	266	3.98
20	A"	3604	3604	0.41
21	A"	3134	3134	61.27
22	A"	3112	3112	32.79
23	A"	3084	3084	2.25
24	A"	1497	1497	6.13
25	A"	1393	1393	0.22
26	A"	1322	1322	0.58
27	A"	1242	1242	0.00
28	A"	1034	1034	0.19
29	A"	859	859	1.01
30	A"	743	743	1.12
31	A"	271	271	35.78
32	A"	225	225	8.96
33	A"	130	130	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	1.442	1.284	0.000
C2	0.000	0.755	0.000
C3	-0.055	-0.782	0.000
N4	-1.401	-1.376	0.000
H5	1.467	2.385	0.000
H6	1.990	0.934	0.890
H7	1.990	0.934	-0.890
H8	-0.540	1.133	0.886
H9	-0.540	1.133	-0.886
H10	0.482	-1.167	-0.883
H11	0.482	-1.167	0.883
H12	-1.921	-1.049	-0.813
H13	-1.921	-1.049	0.813

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5361	2.5515	3.8933	1.1008	1.1024	1.1024	2.1760	2.1760	2.7766	2.7766	4.1733	4.1733
C2	1.5361		1.5372	2.5497	2.1933	2.1872	2.1872	1.1045	1.1045	2.1690	2.1690	2.7578	2.7578
C3	2.5515	1.5372		1.4708	3.5135	2.8142	2.8142	2.1649	2.1649	1.1034	1.1034	2.0528	2.0528
N4	3.8933	2.5497	1.4708		4.7295	4.1982	4.1982	2.7967	2.7967	2.0904	2.0904	1.0190	1.0190
H5	1.1008	2.1933	3.5135	4.7295		1.7803	1.7803	2.5258	2.5258	3.7901	3.7901	4.8923	4.8923
H6	1.1024	2.1872	2.8142	4.1982	1.7803		1.7807	2.5372	3.0973	3.1358	2.5861	4.7043	4.3858
H7	1.1024	2.1872	2.8142	4.1982	1.7803	1.7807		3.0973	2.5372	2.5861	3.1358	4.3858	4.7043
H8	2.1760	1.1045	2.1649	2.7967	2.5258	2.5372	3.0973		1.7723	3.0766	2.5169	3.0916	2.5838
H9	2.1760	1.1045	2.1649	2.7967	2.5258	3.0973	2.5372	1.7723		2.5169	3.0766	2.5838	3.0916
H10	2.7766	2.1690	1.1034	2.0904	3.7901	3.1358	2.5861	3.0766	2.5169		1.7664	2.4074	2.9441
H11	2.7766	2.1690	1.1034	2.0904	3.7901	2.5861	3.1358	2.5169	3.0766	1.7664		2.9441	2.4074
H12	4.1733	2.7578	2.0528	1.0190	4.8923	4.7043	4.3858	3.0916	2.5838	2.4074	2.9441		1.6261
H13	4.1733	2.7578	2.0528	1.0190	4.8923	4.3858	4.7043	2.5838	3.0916	2.9441	2.4074	1.6261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.241	C1	C2	H8	109.904
C1	C2	H9	109.904	C2	C1	H5	111.494
C2	C1	H6	110.909	C2	C1	H7	110.909
C2	C3	N4	115.887	C2	C3	H10	109.352
C2	C3	H11	109.352	C3	C2	H8	108.964
C3	C2	H9	108.964	C3	N4	H12	109.731
C3	N4	H13	109.731	N4	C3	H10	107.740
N4	C3	H11	107.740	H5	C1	H6	107.817
H5	C1	H7	107.817	H6	C1	H7	107.734
H8	C2	H9	106.700	H10	C3	H11	106.343
H12	N4	H13	105.849

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

using model chemistry: MP3=FULL/aug-cc-pVDZ

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: MP3=FULL/aug-cc-pVDZ

States and conformations

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