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	hartrees
Energy at 0K	-172.752421
Energy at 298.15K	-172.762870
HF Energy	-172.321235
Nuclear repulsion energy	129.360535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3379	3232	4.34
2	A'	3102	2967	30.69
3	A'	3040	2908	46.93
4	A'	3033	2901	12.35
5	A'	3025	2893	12.54
6	A'	1754	1678	17.26
7	A'	1586	1517	4.96
8	A'	1573	1505	1.19
9	A'	1561	1493	0.35
10	A'	1480	1415	5.22
11	A'	1424	1362	0.63
12	A'	1371	1312	2.47
13	A'	1160	1110	4.88
14	A'	1074	1027	4.72
15	A'	1007	963	8.31
16	A'	907	867	79.69
17	A'	805	770	164.90
18	A'	446	426	2.21
19	A'	267	255	4.44
20	A"	3471	3320	4.17
21	A"	3101	2966	66.87
22	A"	3083	2949	11.94
23	A"	3055	2922	1.61
24	A"	1583	1514	7.11
25	A"	1421	1359	1.14
26	A"	1372	1312	0.41
27	A"	1296	1240	0.04
28	A"	1074	1027	0.00
29	A"	893	854	2.28
30	A"	758	725	2.39
31	A"	309	296	59.13
32	A"	233	223	5.17
33	A"	137	131	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	1.458	1.301	0.000
C2	0.000	0.765	0.000
C3	-0.047	-0.790	0.000
N4	-1.421	-1.386	0.000
H5	1.476	2.399	0.000
H6	1.995	0.945	0.891
H7	1.995	0.945	-0.891
H8	-0.535	1.136	0.888
H9	-0.535	1.136	-0.888
H10	0.482	-1.169	-0.886
H11	0.482	-1.169	0.886
H12	-1.940	-1.085	-0.833
H13	-1.940	-1.085	0.833

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5532	2.5760	3.9377	1.0986	1.0997	1.0997	2.1882	2.1882	2.7997	2.7997	4.2343	4.2343
C2	1.5532		1.5557	2.5780	2.2021	2.1923	2.1923	1.1017	1.1017	2.1816	2.1816	2.8070	2.8070
C3	2.5760	1.5557		1.4975	3.5342	2.8236	2.8236	2.1770	2.1770	1.0998	1.0998	2.0888	2.0888
N4	3.9377	2.5780	1.4975		4.7666	4.2301	4.2301	2.8174	2.8174	2.1104	2.1104	1.0265	1.0265
H5	1.0986	2.2021	3.5342	4.7666		1.7829	1.7829	2.5354	2.5354	3.8088	3.8088	4.9500	4.9500
H6	1.0997	2.1923	2.8236	4.2301	1.7829		1.7821	2.5374	3.0991	3.1492	2.5995	4.7513	4.4278
H7	1.0997	2.1923	2.8236	4.2301	1.7829	1.7821		3.0991	2.5374	2.5995	3.1492	4.4278	4.7513
H8	2.1882	1.1017	2.1770	2.8174	2.5354	2.5374	3.0991		1.7767	3.0825	2.5202	3.1420	2.6291
H9	2.1882	1.1017	2.1770	2.8174	2.5354	3.0991	2.5374	1.7767		2.5202	3.0825	2.6291	3.1420
H10	2.7997	2.1816	1.0998	2.1104	3.8088	3.1492	2.5995	3.0825	2.5202		1.7730	2.4238	2.9713
H11	2.7997	2.1816	1.0998	2.1104	3.8088	2.5995	3.1492	2.5202	3.0825	1.7730		2.9713	2.4238
H12	4.2343	2.8070	2.0888	1.0265	4.9500	4.7513	4.4278	3.1420	2.6291	2.4238	2.9713		1.6660
H13	4.2343	2.8070	2.0888	1.0265	4.9500	4.4278	4.7513	2.6291	3.1420	2.9713	2.4238	1.6660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.910	C1	C2	H8	109.852
C1	C2	H9	109.852	C2	C1	H5	111.126
C2	C1	H6	110.293	C2	C1	H7	110.293
C2	C3	N4	115.192	C2	C3	H10	109.274
C2	C3	H11	109.274	C3	C2	H8	108.814
C3	C2	H9	108.814	C3	N4	H12	110.306
C3	N4	H13	110.306	N4	C3	H10	107.702
N4	C3	H11	107.702	H5	C1	H6	108.397
H5	C1	H7	108.397	H6	C1	H7	108.253
H8	C2	H9	107.485	H10	C3	H11	107.417
H12	N4	H13	108.484

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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