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	hartrees
Energy at 0K	-174.017018
Energy at 298.15K	-174.027415
HF Energy	-173.309984
Nuclear repulsion energy	130.368989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3486	3486	2.30
2	A'	3118	3118	36.75
3	A'	3041	3041	63.84
4	A'	3035	3035	10.97
5	A'	3025	3025	25.57
6	A'	1661	1661	20.81
7	A'	1503	1503	4.08
8	A'	1491	1491	0.84
9	A'	1481	1481	0.04
10	A'	1411	1411	0.50
11	A'	1404	1404	7.39
12	A'	1322	1322	6.67
13	A'	1146	1146	3.59
14	A'	1112	1112	16.15
15	A'	1053	1053	0.40
16	A'	924	924	79.06
17	A'	852	852	75.10
18	A'	447	447	2.89
19	A'	266	266	3.93
20	A"	3571	3571	0.10
21	A"	3110	3110	66.18
22	A"	3087	3087	30.91
23	A"	3059	3059	2.91
24	A"	1494	1494	5.71
25	A"	1388	1388	0.25
26	A"	1319	1319	0.60
27	A"	1241	1241	0.00
28	A"	1032	1032	0.23
29	A"	857	857	0.99
30	A"	742	742	0.96
31	A"	271	271	34.96
32	A"	226	226	8.94
33	A"	130	130	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	1.442	1.286	0.000
C2	0.000	0.755	0.000
C3	-0.055	-0.782	0.000
N4	-1.401	-1.378	0.000
H5	1.466	2.388	0.000
H6	1.991	0.936	0.892
H7	1.991	0.936	-0.892
H8	-0.541	1.134	0.887
H9	-0.541	1.134	-0.887
H10	0.483	-1.168	-0.885
H11	0.483	-1.168	0.885
H12	-1.923	-1.050	-0.814
H13	-1.923	-1.050	0.814

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5363	2.5522	3.8952	1.1025	1.1040	1.1040	2.1772	2.1772	2.7788	2.7788	4.1754	4.1754
C2	1.5363		1.5373	2.5512	2.1945	2.1887	2.1887	1.1062	1.1062	2.1707	2.1707	2.7594	2.7594
C3	2.5522	1.5373		1.4721	3.5155	2.8160	2.8160	2.1662	2.1662	1.1050	1.1050	2.0552	2.0552
N4	3.8952	2.5512	1.4721		4.7324	4.2012	4.2012	2.7988	2.7988	2.0918	2.0918	1.0211	1.0211
H5	1.1025	2.1945	3.5155	4.7324		1.7828	1.7828	2.5271	2.5271	3.7937	3.7937	4.8948	4.8948
H6	1.1040	2.1887	2.8160	4.2012	1.7828		1.7834	2.5390	3.1003	3.1393	2.5884	4.7081	4.3889
H7	1.1040	2.1887	2.8160	4.2012	1.7828	1.7834		3.1003	2.5390	2.5884	3.1393	4.3889	4.7081
H8	2.1772	1.1062	2.1662	2.7988	2.5271	2.5390	3.1003		1.7748	3.0799	2.5190	3.0937	2.5848
H9	2.1772	1.1062	2.1662	2.7988	2.5271	3.1003	2.5390	1.7748		2.5190	3.0799	2.5848	3.0937
H10	2.7788	2.1707	1.1050	2.0918	3.7937	3.1393	2.5884	3.0799	2.5190		1.7693	2.4097	2.9474
H11	2.7788	2.1707	1.1050	2.0918	3.7937	2.5884	3.1393	2.5190	3.0799	1.7693		2.9474	2.4097
H12	4.1754	2.7594	2.0552	1.0211	4.8948	4.7081	4.3889	3.0937	2.5848	2.4097	2.9474		1.6282
H13	4.1754	2.7594	2.0552	1.0211	4.8948	4.3889	4.7081	2.5848	3.0937	2.9474	2.4097	1.6282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.269	C1	C2	H8	109.892
C1	C2	H9	109.892	C2	C1	H5	111.477
C2	C1	H6	110.926	C2	C1	H7	110.926
C2	C3	N4	115.915	C2	C3	H10	109.385
C2	C3	H11	109.385	C3	C2	H8	108.968
C3	C2	H9	108.968	C3	N4	H12	109.711
C3	N4	H13	109.711	N4	C3	H10	107.674
N4	C3	H11	107.674	H5	C1	H6	107.801
H5	C1	H7	107.801	H6	C1	H7	107.750
H8	C2	H9	106.688	H10	C3	H11	106.382
H12	N4	H13	105.738

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

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

States and conformations

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