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	hartrees
Energy at 0K	-173.863044
Energy at 298.15K	-173.873604
HF Energy	-173.317398
Nuclear repulsion energy	131.544775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3642	3384	0.91
2	A'	3204	2977	40.79
3	A'	3135	2913	64.04
4	A'	3126	2904	13.67
5	A'	3115	2894	32.55
6	A'	1792	1665	34.98
7	A'	1584	1472	7.80
8	A'	1570	1458	1.92
9	A'	1562	1451	0.15
10	A'	1493	1387	2.72
11	A'	1481	1376	9.73
12	A'	1392	1293	6.61
13	A'	1201	1116	5.87
14	A'	1157	1075	19.50
15	A'	1090	1013	1.23
16	A'	981	911	167.52
17	A'	901	837	61.88
18	A'	466	433	3.14
19	A'	278	259	4.40
20	A"	3723	3459	0.03
21	A"	3199	2973	83.82
22	A"	3179	2953	28.14
23	A"	3146	2923	4.83
24	A"	1576	1464	9.06
25	A"	1465	1361	0.32
26	A"	1391	1292	0.55
27	A"	1307	1214	0.00
28	A"	1085	1008	0.04
29	A"	898	834	1.68
30	A"	766	712	1.80
31	A"	294	274	50.04
32	A"	238	221	5.93
33	A"	136	127	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	1.426	1.287	0.000
C2	0.000	0.747	0.000
C3	-0.054	-0.780	0.000
N4	-1.386	-1.370	0.000
H5	1.441	2.375	0.000
H6	1.974	0.949	0.879
H7	1.974	0.949	-0.879
H8	-0.538	1.121	0.875
H9	-0.538	1.121	-0.875
H10	0.479	-1.162	-0.872
H11	0.479	-1.162	0.872
H12	-1.900	-1.063	-0.809
H13	-1.900	-1.063	0.809

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5249	2.5424	3.8685	1.0885	1.0897	1.0897	2.1561	2.1561	2.7668	2.7668	4.1516	4.1516
C2	1.5249		1.5279	2.5300	2.1746	2.1700	2.1700	1.0926	1.0926	2.1525	2.1525	2.7455	2.7455
C3	2.5424	1.5279		1.4564	3.4918	2.8060	2.8060	2.1472	2.1472	1.0910	1.0910	2.0347	2.0347
N4	3.8685	2.5300	1.4564		4.6924	4.1755	4.1755	2.7724	2.7724	2.0688	2.0688	1.0063	1.0063
H5	1.0885	2.1746	3.4918	4.6924		1.7585	1.7585	2.5011	2.5011	3.7682	3.7682	4.8616	4.8616
H6	1.0897	2.1700	2.8060	4.1755	1.7585		1.7586	2.5172	3.0680	3.1236	2.5865	4.6795	4.3650
H7	1.0897	2.1700	2.8060	4.1755	1.7585	1.7586		3.0680	2.5172	2.5865	3.1236	4.3650	4.6795
H8	2.1561	1.0926	2.1472	2.7724	2.5011	2.5172	3.0680		1.7493	3.0485	2.4985	3.0749	2.5740
H9	2.1561	1.0926	2.1472	2.7724	2.5011	3.0680	2.5172	1.7493		2.4985	3.0485	2.5740	3.0749
H10	2.7668	2.1525	1.0910	2.0688	3.7682	3.1236	2.5865	3.0485	2.4985		1.7441	2.3813	2.9140
H11	2.7668	2.1525	1.0910	2.0688	3.7682	2.5865	3.1236	2.4985	3.0485	1.7441		2.9140	2.3813
H12	4.1516	2.7455	2.0347	1.0063	4.8616	4.6795	4.3650	3.0749	2.5740	2.3813	2.9140		1.6176
H13	4.1516	2.7455	2.0347	1.0063	4.8616	4.3650	4.6795	2.5740	3.0749	2.9140	2.3813	1.6176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.778	C1	C2	H8	109.822
C1	C2	H9	109.822	C2	C1	H5	111.537
C2	C1	H6	111.098	C2	C1	H7	111.098
C2	C3	N4	115.924	C2	C3	H10	109.422
C2	C3	H11	109.422	C3	C2	H8	108.921
C3	C2	H9	108.921	C3	N4	H12	110.078
C3	N4	H13	110.078	N4	C3	H10	107.745
N4	C3	H11	107.745	H5	C1	H6	107.664
H5	C1	H7	107.664	H6	C1	H7	107.595
H8	C2	H9	106.366	H10	C3	H11	106.130
H12	N4	H13	106.980

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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