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	hartrees
Energy at 0K	-174.119870
Energy at 298.15K	-174.113139
HF Energy	-173.282475
Nuclear repulsion energy	131.591783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3719	3504	0.42
2	A'	3265	3076	56.45
3	A'	3210	3024	68.55
4	A'	3198	3013	17.96
5	A'	3180	2997	44.63
6	A'	1838	1732	29.72
7	A'	1656	1560	2.49
8	A'	1643	1548	1.11
9	A'	1633	1539	0.12
10	A'	1566	1475	0.40
11	A'	1551	1461	8.20
12	A'	1457	1373	13.87
13	A'	1239	1167	8.00
14	A'	1176	1108	24.05
15	A'	1103	1039	2.68
16	A'	1007	949	155.88
17	A'	920	867	76.49
18	A'	477	450	2.83
19	A'	289	272	4.26
20	A"	3802	3583	0.02
21	A"	3261	3073	125.23
22	A"	3244	3056	15.78
23	A"	3203	3018	11.14
24	A"	1644	1549	5.31
25	A"	1517	1429	0.18
26	A"	1445	1361	0.34
27	A"	1360	1281	0.04
28	A"	1118	1054	0.12
29	A"	932	878	1.40
30	A"	799	753	1.01
31	A"	308	291	54.35
32	A"	245	231	6.12
33	A"	141	132	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.426	1.288	0.000
C2	0.000	0.748	0.000
C3	-0.051	-0.779	0.000
N4	-1.388	-1.377	0.000
H5	1.441	2.381	0.000
H6	1.973	0.945	0.884
H7	1.973	0.945	-0.884
H8	-0.541	1.121	0.879
H9	-0.541	1.121	-0.879
H10	0.484	-1.161	-0.877
H11	0.484	-1.161	0.877
H12	-1.904	-1.044	-0.813
H13	-1.904	-1.044	0.813

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5247	2.5402	3.8748	1.0931	1.0941	1.0941	2.1606	2.1606	2.7665	2.7665	4.1458	4.1458
C2	1.5247		1.5276	2.5374	2.1779	2.1704	2.1704	1.0974	1.0974	2.1557	2.1557	2.7381	2.7381
C3	2.5402	1.5276		1.4640	3.4943	2.8013	2.8013	2.1499	2.1499	1.0962	1.0962	2.0410	2.0410
N4	3.8748	2.5374	1.4640		4.7031	4.1785	4.1785	2.7798	2.7798	2.0779	2.0779	1.0193	1.0193
H5	1.0931	2.1779	3.4943	4.7031		1.7677	1.7677	2.5075	2.5075	3.7723	3.7723	4.8560	4.8560
H6	1.0941	2.1704	2.8013	4.1785	1.7677		1.7671	2.5194	3.0748	3.1228	2.5790	4.6759	4.3578
H7	1.0941	2.1704	2.8013	4.1785	1.7677	1.7671		3.0748	2.5194	2.5790	3.1228	4.3578	4.6759
H8	2.1606	1.0974	2.1499	2.7798	2.5075	2.5194	3.0748		1.7581	3.0564	2.5014	3.0674	2.5593
H9	2.1606	1.0974	2.1499	2.7798	2.5075	3.0748	2.5194	1.7581		2.5014	3.0564	2.5593	3.0674
H10	2.7665	2.1557	1.0962	2.0779	3.7723	3.1228	2.5790	3.0564	2.5014		1.7544	2.3919	2.9281
H11	2.7665	2.1557	1.0962	2.0779	3.7723	2.5790	3.1228	2.5014	3.0564	1.7544		2.9281	2.3919
H12	4.1458	2.7381	2.0410	1.0193	4.8560	4.6759	4.3578	3.0674	2.5593	2.3919	2.9281		1.6261
H13	4.1458	2.7381	2.0410	1.0193	4.8560	4.3578	4.6759	2.5593	3.0674	2.9281	2.3919	1.6261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.887	C1	C2	H8	109.611
C1	C2	H9	109.611	C2	C1	H5	111.279
C2	C1	H6	111.179	C2	C1	H7	111.179
C2	C3	N4	115.692	C2	C3	H10	109.484
C2	C3	H11	109.484	C3	C2	H8	109.077
C3	C2	H9	109.077	C3	N4	H12	110.693
C3	N4	H13	110.693	N4	C3	H10	107.751
N4	C3	H11	107.751	H5	C1	H6	107.695
H5	C1	H7	107.695	H6	C1	H7	107.636
H8	C2	H9	106.364	H10	C3	H11	106.255
H12	N4	H13	106.863

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

using model chemistry: G2

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: G2

States and conformations

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