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	hartrees
Energy at 0K	-172.760764
Energy at 298.15K	-172.771204
HF Energy	-172.320612
Nuclear repulsion energy	129.126470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3343	3242
2	A'	3096	3002
3	A'	3029	2937
4	A'	3023	2932
5	A'	3013	2922
6	A'	1742	1689
7	A'	1582	1534
8	A'	1568	1521
9	A'	1556	1509
10	A'	1473	1428
11	A'	1412	1370
12	A'	1361	1320
13	A'	1153	1118
14	A'	1062	1030
15	A'	995	965
16	A'	897	870
17	A'	800	776
18	A'	441	427
19	A'	263	255
20	A"	3438	3334
21	A"	3094	3000
22	A"	3075	2982
23	A"	3045	2953
24	A"	1580	1533
25	A"	1413	1370
26	A"	1365	1324
27	A"	1290	1252
28	A"	1068	1035
29	A"	887	860
30	A"	755	732
31	A"	313	304
32	A"	232	225
33	A"	136	131

Atom	x (Å)	y (Å)	z (Å)
C1	1.461	1.302	0.000
C2	0.000	0.767	0.000
C3	-0.046	-0.790	0.000
N4	-1.425	-1.391	0.000
H5	1.483	2.401	0.000
H6	1.997	0.943	0.892
H7	1.997	0.943	-0.892
H8	-0.535	1.138	0.890
H9	-0.535	1.138	-0.890
H10	0.482	-1.170	-0.888
H11	0.482	-1.170	0.888
H12	-1.942	-1.079	-0.834
H13	-1.942	-1.079	0.834

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5558	2.5784	3.9472	1.0992	1.1003	1.1003	2.1920	2.1920	2.8026	2.8026	4.2356	4.2356
C2	1.5558		1.5584	2.5864	2.2057	2.1941	2.1941	1.1025	1.1025	2.1847	2.1847	2.8059	2.8059
C3	2.5784	1.5584		1.5040	3.5382	2.8239	2.8239	2.1792	2.1792	1.1006	1.1006	2.0906	2.0906
N4	3.9472	2.5864	1.5040		4.7781	4.2371	4.2371	2.8246	2.8246	2.1151	2.1151	1.0293	1.0293
H5	1.0992	2.2057	3.5382	4.7781		1.7844	1.7844	2.5412	2.5412	3.8126	3.8126	4.9523	4.9523
H6	1.1003	2.1941	2.8239	4.2371	1.7844		1.7832	2.5400	3.1023	3.1506	2.5998	4.7516	4.4277
H7	1.1003	2.1941	2.8239	4.2371	1.7844	1.7832		3.1023	2.5400	2.5998	3.1506	4.4277	4.7516
H8	2.1920	1.1025	2.1792	2.8246	2.5412	2.5400	3.1023		1.7792	3.0854	2.5219	3.1401	2.6257
H9	2.1920	1.1025	2.1792	2.8246	2.5412	3.1023	2.5400	1.7792		2.5219	3.0854	2.6257	3.1401
H10	2.8026	2.1847	1.1006	2.1151	3.8126	3.1506	2.5998	3.0854	2.5219		1.7760	2.4259	2.9742
H11	2.8026	2.1847	1.1006	2.1151	3.8126	2.5998	3.1506	2.5219	3.0854	1.7760		2.9742	2.4259
H12	4.2356	2.8059	2.0906	1.0293	4.9523	4.7516	4.4277	3.1401	2.6257	2.4259	2.9742		1.6672
H13	4.2356	2.8059	2.0906	1.0293	4.9523	4.4277	4.7516	2.6257	3.1401	2.9742	2.4259	1.6672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.781	C1	C2	H8	109.923
C1	C2	H9	109.923	C2	C1	H5	111.192
C2	C1	H6	110.213	C2	C1	H7	110.213
C2	C3	N4	115.239	C2	C3	H10	109.283
C2	C3	H11	109.283	C3	C2	H8	108.759
C3	C2	H9	108.759	C3	N4	H12	109.815
C3	N4	H13	109.815	N4	C3	H10	107.594
N4	C3	H11	107.594	H5	C1	H6	108.442
H5	C1	H7	108.442	H6	C1	H7	108.258
H8	C2	H9	107.591	H10	C3	H11	107.577
H12	N4	H13	108.177

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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