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	hartrees
Energy at 0K	-173.963097
Energy at 298.15K	-173.973492
HF Energy	-173.310325
Nuclear repulsion energy	130.655468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3496	3389	1.59
2	A'	3159	3062	28.86
3	A'	3065	2971	69.66
4	A'	3061	2967	12.12
5	A'	3052	2958	12.48
6	A'	1643	1592	21.66
7	A'	1498	1452	5.52
8	A'	1486	1440	0.56
9	A'	1475	1429	0.00
10	A'	1396	1353	1.96
11	A'	1387	1344	6.88
12	A'	1309	1269	4.55
13	A'	1142	1107	2.91
14	A'	1114	1079	16.98
15	A'	1057	1025	0.46
16	A'	914	886	63.02
17	A'	839	814	99.65
18	A'	447	433	3.09
19	A'	264	256	4.05
20	A"	3596	3485	1.53
21	A"	3151	3054	47.71
22	A"	3124	3028	33.51
23	A"	3098	3003	1.48
24	A"	1493	1447	6.85
25	A"	1381	1338	0.26
26	A"	1314	1274	0.68
27	A"	1233	1195	0.01
28	A"	1027	995	0.14
29	A"	855	829	1.02
30	A"	743	720	1.39
31	A"	274	266	34.56
32	A"	228	221	9.86
33	A"	133	128	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	1.440	1.279	0.000
C2	0.000	0.756	0.000
C3	-0.056	-0.777	0.000
N4	-1.398	-1.374	0.000
H5	1.471	2.378	0.000
H6	1.985	0.926	0.890
H7	1.985	0.926	-0.890
H8	-0.539	1.133	0.886
H9	-0.539	1.133	-0.886
H10	0.481	-1.161	-0.883
H11	0.481	-1.161	0.883
H12	-1.921	-1.050	-0.814
H13	-1.921	-1.050	0.814

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5320	2.5420	3.8851	1.1001	1.1015	1.1015	2.1734	2.1734	2.7665	2.7665	4.1692	4.1692
C2	1.5320		1.5332	2.5479	2.1907	2.1821	2.1821	1.1040	1.1040	2.1649	2.1649	2.7592	2.7592
C3	2.5420	1.5332		1.4695	3.5053	2.8030	2.8030	2.1603	2.1603	1.1030	1.1030	2.0536	2.0536
N4	3.8851	2.5479	1.4695		4.7243	4.1871	4.1871	2.7949	2.7949	2.0877	2.0877	1.0207	1.0207
H5	1.1001	2.1907	3.5053	4.7243		1.7789	1.7789	2.5257	2.5257	3.7803	3.7803	4.8914	4.8914
H6	1.1015	2.1821	2.8030	4.1871	1.7789		1.7795	2.5330	3.0935	3.1246	2.5728	4.6976	4.3784
H7	1.1015	2.1821	2.8030	4.1871	1.7789	1.7795		3.0935	2.5330	2.5728	3.1246	4.3784	4.6976
H8	2.1734	1.1040	2.1603	2.7949	2.5257	2.5330	3.0935		1.7722	3.0722	2.5116	3.0928	2.5846
H9	2.1734	1.1040	2.1603	2.7949	2.5257	3.0935	2.5330	1.7722		2.5116	3.0722	2.5846	3.0928
H10	2.7665	2.1649	1.1030	2.0877	3.7803	3.1246	2.5728	3.0722	2.5116		1.7665	2.4063	2.9439
H11	2.7665	2.1649	1.1030	2.0877	3.7803	2.5728	3.1246	2.5116	3.0722	1.7665		2.9439	2.4063
H12	4.1692	2.7592	2.0536	1.0207	4.8914	4.6976	4.3784	3.0928	2.5846	2.4063	2.9439		1.6281
H13	4.1692	2.7592	2.0536	1.0207	4.8914	4.3784	4.6976	2.5846	3.0928	2.9439	2.4063	1.6281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.057	C1	C2	H8	110.019
C1	C2	H9	110.019	C2	C1	H5	111.621
C2	C1	H6	110.850	C2	C1	H7	110.850
C2	C3	N4	116.090	C2	C3	H10	109.322
C2	C3	H11	109.322	C3	C2	H8	108.915
C3	C2	H9	108.915	C3	N4	H12	109.799
C3	N4	H13	109.799	N4	C3	H10	107.637
N4	C3	H11	107.637	H5	C1	H6	107.802
H5	C1	H7	107.802	H6	C1	H7	107.755
H8	C2	H9	106.762	H10	C3	H11	106.397
H12	N4	H13	105.795

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

using model chemistry: MP2=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: MP2=FULL/aug-cc-pVDZ

States and conformations

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