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	hartrees
Energy at 0K	-172.706624
Energy at 298.15K	-172.717111
HF Energy	-172.322014
Nuclear repulsion energy	129.645487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3419	3253	2.00
2	A'	3156	3003	28.34
3	A'	3087	2937	48.75
4	A'	3081	2930	13.42
5	A'	3072	2922	9.89
6	A'	1759	1674	17.65
7	A'	1607	1528	4.60
8	A'	1592	1515	1.10
9	A'	1579	1502	0.42
10	A'	1493	1421	4.99
11	A'	1433	1363	0.88
12	A'	1382	1315	2.93
13	A'	1169	1112	3.39
14	A'	1079	1026	4.29
15	A'	1016	966	6.54
16	A'	910	865	68.72
17	A'	797	758	193.12
18	A'	449	427	2.25
19	A'	267	254	4.50
20	A"	3521	3349	1.45
21	A"	3156	3002	61.58
22	A"	3137	2985	15.65
23	A"	3108	2957	1.83
24	A"	1604	1526	7.28
25	A"	1430	1361	0.98
26	A"	1387	1319	0.45
27	A"	1310	1246	0.03
28	A"	1081	1029	0.00
29	A"	901	858	2.30
30	A"	767	730	2.68
31	A"	316	301	58.72
32	A"	238	226	5.62
33	A"	141	134	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	1.454	1.300	0.000
C2	0.000	0.764	0.000
C3	-0.046	-0.788	0.000
N4	-1.417	-1.386	0.000
H5	1.471	2.395	0.000
H6	1.989	0.945	0.888
H7	1.989	0.945	-0.888
H8	-0.534	1.133	0.886
H9	-0.534	1.133	-0.886
H10	0.481	-1.164	-0.884
H11	0.481	-1.164	0.884
H12	-1.936	-1.093	-0.833
H13	-1.936	-1.093	0.833

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5492	2.5705	3.9308	1.0950	1.0959	1.0959	2.1823	2.1823	2.7925	2.7925	4.2322	4.2322
C2	1.5492		1.5525	2.5746	2.1963	2.1857	2.1857	1.0980	1.0980	2.1751	2.1751	2.8094	2.8094
C3	2.5705	1.5525		1.4952	3.5257	2.8167	2.8167	2.1707	2.1707	1.0962	1.0962	2.0877	2.0877
N4	3.9308	2.5746	1.4952		4.7573	4.2214	4.2214	2.8123	2.8123	2.1055	2.1055	1.0241	1.0241
H5	1.0950	2.1963	3.5257	4.7573		1.7769	1.7769	2.5292	2.5292	3.7983	3.7983	4.9469	4.9469
H6	1.0959	2.1857	2.8167	4.2214	1.7769		1.7762	2.5298	3.0897	3.1405	2.5928	4.7459	4.4232
H7	1.0959	2.1857	2.8167	4.2214	1.7769	1.7762		3.0897	2.5298	2.5928	3.1405	4.4232	4.7459
H8	2.1823	1.0980	2.1707	2.8123	2.5292	2.5298	3.0897		1.7715	3.0725	2.5116	3.1429	2.6319
H9	2.1823	1.0980	2.1707	2.8123	2.5292	3.0897	2.5298	1.7715		2.5116	3.0725	2.6319	3.1429
H10	2.7925	2.1751	1.0962	2.1055	3.7983	3.1405	2.5928	3.0725	2.5116		1.7681	2.4188	2.9658
H11	2.7925	2.1751	1.0962	2.1055	3.7983	2.5928	3.1405	2.5116	3.0725	1.7681		2.9658	2.4188
H12	4.2322	2.8094	2.0877	1.0241	4.9469	4.7459	4.4232	3.1429	2.6319	2.4188	2.9658		1.6658
H13	4.2322	2.8094	2.0877	1.0241	4.9469	4.4232	4.7459	2.6319	3.1429	2.9658	2.4188	1.6658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.937	C1	C2	H8	109.873
C1	C2	H9	109.873	C2	C1	H5	111.156
C2	C1	H6	110.270	C2	C1	H7	110.270
C2	C3	N4	115.283	C2	C3	H10	109.201
C2	C3	H11	109.201	C3	C2	H8	108.753
C3	C2	H9	108.753	C3	N4	H12	110.527
C3	N4	H13	110.527	N4	C3	H10	107.685
N4	C3	H11	107.685	H5	C1	H6	108.396
H5	C1	H7	108.396	H6	C1	H7	108.271
H8	C2	H9	107.539	H10	C3	H11	107.513
H12	N4	H13	108.840

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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