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	hartrees
Energy at 0K	-173.966724
Energy at 298.15K	-173.977256
HF Energy	-173.300038
Nuclear repulsion energy	131.219583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3563	3341	1.07
2	A'	3201	3001	34.44
3	A'	3114	2920	48.97
4	A'	3110	2916	28.56
5	A'	3097	2904	18.28
6	A'	1716	1609	22.36
7	A'	1572	1474	2.35
8	A'	1558	1461	0.97
9	A'	1548	1451	0.08
10	A'	1475	1383	0.66
11	A'	1461	1370	5.81
12	A'	1373	1287	12.11
13	A'	1185	1111	7.52
14	A'	1136	1065	11.79
15	A'	1078	1011	1.71
16	A'	966	905	129.42
17	A'	887	832	63.96
18	A'	458	430	2.94
19	A'	274	256	4.15
20	A"	3654	3426	0.44
21	A"	3194	2995	55.37
22	A"	3163	2966	42.92
23	A"	3136	2940	3.54
24	A"	1562	1465	5.11
25	A"	1431	1341	0.51
26	A"	1368	1282	0.49
27	A"	1291	1211	0.01
28	A"	1063	997	0.22
29	A"	886	831	1.53
30	A"	760	713	1.03
31	A"	308	289	50.16
32	A"	238	223	5.10
33	A"	138	130	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	1.427	1.292	0.000
C2	0.000	0.746	0.000
C3	-0.051	-0.783	0.000
N4	-1.389	-1.378	0.000
H5	1.435	2.382	0.000
H6	1.973	0.953	0.881
H7	1.973	0.953	-0.881
H8	-0.539	1.119	0.876
H9	-0.539	1.119	-0.876
H10	0.484	-1.163	-0.875
H11	0.484	-1.163	0.875
H12	-1.902	-1.042	-0.809
H13	-1.902	-1.042	0.809

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5275	2.5474	3.8804	1.0898	1.0911	1.0911	2.1593	2.1593	2.7716	2.7716	4.1453	4.1453
C2	1.5275		1.5303	2.5381	2.1762	2.1707	2.1707	1.0943	1.0943	2.1552	2.1552	2.7332	2.7332
C3	2.5474	1.5303		1.4647	3.4966	2.8079	2.8079	2.1504	2.1504	1.0932	1.0932	2.0369	2.0369
N4	3.8804	2.5381	1.4647		4.7026	4.1846	4.1846	2.7792	2.7792	2.0783	2.0783	1.0147	1.0147
H5	1.0898	2.1762	3.4966	4.7026		1.7632	1.7632	2.5026	2.5026	3.7732	3.7732	4.8495	4.8495
H6	1.0911	2.1707	2.8079	4.1846	1.7632		1.7625	2.5177	3.0706	3.1267	2.5871	4.6745	4.3590
H7	1.0911	2.1707	2.8079	4.1846	1.7632	1.7625		3.0706	2.5177	2.5871	3.1267	4.3590	4.6745
H8	2.1593	1.0943	2.1504	2.7792	2.5026	2.5177	3.0706		1.7529	3.0528	2.5006	3.0604	2.5557
H9	2.1593	1.0943	2.1504	2.7792	2.5026	3.0706	2.5177	1.7529		2.5006	3.0528	2.5557	3.0604
H10	2.7716	2.1552	1.0932	2.0783	3.7732	3.1267	2.5871	3.0528	2.5006		1.7496	2.3900	2.9225
H11	2.7716	2.1552	1.0932	2.0783	3.7732	2.5871	3.1267	2.5006	3.0528	1.7496		2.9225	2.3900
H12	4.1453	2.7332	2.0369	1.0147	4.8495	4.6745	4.3590	3.0604	2.5557	2.3900	2.9225		1.6170
H13	4.1453	2.7332	2.0369	1.0147	4.8495	4.3590	4.6745	2.5557	3.0604	2.9225	2.3900	1.6170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.830	C1	C2	H8	109.790
C1	C2	H9	109.790	C2	C1	H5	111.399
C2	C1	H6	110.884	C2	C1	H7	110.884
C2	C3	N4	115.851	C2	C3	H10	109.334
C2	C3	H11	109.334	C3	C2	H8	108.895
C3	C2	H9	108.895	C3	N4	H12	109.129
C3	N4	H13	109.129	N4	C3	H10	107.798
N4	C3	H11	107.798	H5	C1	H6	107.893
H5	C1	H7	107.893	H6	C1	H7	107.736
H8	C2	H9	106.432	H10	C3	H11	106.299
H12	N4	H13	105.648

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

using model chemistry: CCD/6-31G**

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/6-31G**

States and conformations

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