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	hartrees
Energy at 0K	-174.108683
Energy at 298.15K	-174.119086
HF Energy	-173.357684
Nuclear repulsion energy	131.608358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3526	3355	0.72
2	A'	3166	3012	24.54
3	A'	3077	2928	68.24
4	A'	3073	2924	9.28
5	A'	3064	2915	6.66
6	A'	1659	1579	21.44
7	A'	1520	1446	6.17
8	A'	1506	1433	0.49
9	A'	1492	1419	0.06
10	A'	1416	1347	3.41
11	A'	1400	1332	5.65
12	A'	1325	1261	4.83
13	A'	1153	1097	3.51
14	A'	1116	1062	14.61
15	A'	1058	1007	0.32
16	A'	926	881	87.29
17	A'	852	811	98.17
18	A'	449	427	2.96
19	A'	262	249	4.03
20	A"	3619	3444	1.79
21	A"	3158	3005	42.73
22	A"	3131	2980	28.54
23	A"	3105	2954	0.74
24	A"	1515	1441	7.52
25	A"	1395	1327	0.29
26	A"	1331	1267	0.58
27	A"	1248	1188	0.01
28	A"	1038	987	0.08
29	A"	862	821	1.13
30	A"	750	714	1.68
31	A"	278	265	38.32
32	A"	227	216	8.01
33	A"	133	127	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-1.427	1.273	0.000
C2	0.000	0.747	0.000
C3	0.053	-0.775	0.000
N4	1.389	-1.365	0.000
H5	-1.450	2.361	0.000
H6	-1.969	0.927	0.880
H7	-1.969	0.927	-0.880
H8	0.535	1.119	0.876
H9	0.535	1.119	-0.876
H10	-0.481	-1.153	0.874
H11	-0.481	-1.153	-0.874
H12	1.902	-1.030	-0.806
H13	1.902	-1.030	0.806

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5211	2.5265	3.8581	1.0882	1.0897	1.0897	2.1550	2.1550	2.7463	2.7463	4.1279	4.1279
C2	1.5211		1.5225	2.5271	2.1694	2.1643	2.1643	1.0925	1.0925	2.1455	2.1455	2.7252	2.7252
C3	2.5265	1.5225		1.4603	3.4769	2.7853	2.7853	2.1421	2.1421	1.0913	1.0913	2.0337	2.0337
N4	3.8581	2.5271	1.4603		4.6833	4.1592	4.1592	2.7687	2.7687	2.0745	2.0745	1.0128	1.0128
H5	1.0882	2.1694	3.4769	4.6833		1.7607	1.7607	2.4999	2.4999	3.7478	3.7478	4.8356	4.8356
H6	1.0897	2.1643	2.7853	4.1592	1.7607		1.7598	2.5119	3.0650	2.5573	3.1007	4.6541	4.3385
H7	1.0897	2.1643	2.7853	4.1592	1.7607	1.7598		3.0650	2.5119	3.1007	2.5573	4.3385	4.6541
H8	2.1550	1.0925	2.1421	2.7687	2.4999	2.5119	3.0650		1.7528	2.4891	3.0427	3.0530	2.5483
H9	2.1550	1.0925	2.1421	2.7687	2.4999	3.0650	2.5119	1.7528		3.0427	2.4891	2.5483	3.0530
H10	2.7463	2.1455	1.0913	2.0745	3.7478	2.5573	3.1007	2.4891	3.0427		1.7473	2.9184	2.3872
H11	2.7463	2.1455	1.0913	2.0745	3.7478	3.1007	2.5573	3.0427	2.4891	1.7473		2.3872	2.9184
H12	4.1279	2.7252	2.0337	1.0128	4.8356	4.6541	4.3385	3.0530	2.5483	2.9184	2.3872		1.6129
H13	4.1279	2.7252	2.0337	1.0128	4.8356	4.3385	4.6541	2.5483	3.0530	2.3872	2.9184	1.6129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.215	C1	C2	H8	109.995
C1	C2	H9	109.995	C2	C1	H5	111.403
C2	C1	H6	110.902	C2	C1	H7	110.902
C2	C3	N4	115.807	C2	C3	H10	109.221
C2	C3	H11	109.221	C3	C2	H8	108.895
C3	C2	H9	108.895	C3	N4	H12	109.301
C3	N4	H13	109.301	N4	C3	H10	107.909
N4	C3	H11	107.909	H5	C1	H6	107.890
H5	C1	H7	107.890	H6	C1	H7	107.700
H8	C2	H9	106.680	H10	C3	H11	106.361
H12	N4	H13	105.545

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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